Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Water SCHEMBL10335432 | 1.00 | — | — | |
| Water SCHEMBL27670184 | 1.00 | ALDH1A1 (0.89) | — | |
| Ammonia Solution, Strong SCHEMBL26699157 | 0.95 | — | — | |
| SCHEMBL503396 | 0.94 | — | — | |
| SCHEMBL6223 | 0.94 | — | — | |
| SCHEMBL8679785 | 0.94 | ALDH1A1 (1.00) | — | |
| Hydrazine SCHEMBL18290955 | 0.91 | — | — | |
| Methyl Alcohol SCHEMBL15124588 | 0.91 | — | — | |
| SCHEMBL3662439 | 0.89 | — | — | |
| SCHEMBL3664027 | 0.89 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023246854-A1 | CRYSTAL OF BORATE DERIVATIVE, METHOD FOR PREPARING SAME, AND USE THEREOF | 瑞石生物医药有限公司 | 2023-12-28 | — | — | WO | claimed |
| WO-2024083545-A1 | PROCESS FOR THE PREPARATION OF 4-CHLORO-2-(TRIFLUOROMETHYL)PHENYL GRIGNARD COMPOUND AND DERIVATIVES THEREOF | BASF Agro B.V. (NL) | 2024-04-25 | — | — | WO | disclosed |
| CN-111004090-B | Rectification-molecular sieve membrane coupling process and device for separation of ternary aqueous cosolvent system | 南京工业大学 | 2022-08-12 | — | — | CN | disclosed |
| CN-114082394-A | Desulfurization adsorbent and preparation method and application thereof | 大连佳纯气体净化技术开发有限公司 | 2022-02-25 | — | — | CN | disclosed |
| CN-114057658-A | Polytriazole compound, preparation method and application thereof | 中国科学院上海有机化学研究所 | 2022-02-18 | — | — | CN | disclosed |
| CN-107021916-B | Preparation method of trans-3-methyl-5-benzylaminopiperidine | 浙江医药股份有限公司 | 2020-06-12 | — | — | CN | disclosed |
| WO-2018134412-A1 | ANTIMICROBIAL COMPOUNDS AND USES THEREOF | BIOSYNTH AG (CH) | 2018-07-26 | — | — | WO | disclosed |
| EP-3294735-A1 | INHIBITORS OF INFLUENZA VIRUSES REPLICATION | Vertex Pharmaceuticals Inc. (US) | 2018-03-21 | — | — | EP | disclosed |
| WO-2018030550-A1 | HETEROCYCLIC COMPOUNDS WITH AN ROR(GAMMA)T MODULATING ACTIVITY | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-02-15 | — | — | WO | disclosed |
| EP-2841413-B1 | PROCESS FOR PREPARING N-(5-CHLORO-2-ISOPROPYLBENZYL)CYCLOPROPANAMINE | BAYER CROPSCIENCE AG (DE) | 2017-07-26 | — | — | EP | disclosed |
| US-20020050476-A1 | Chiral separation of enantiomers by high-speed countercurrent chromatography | MA YING (US) | 2002-05-02 | — | — | US | disclosed |
| US-6337021-B1 | ADDING CHIRAL SELECTOR TO PRE-EQUILIBRATED IMMISCIBLE LIQUID PHASES, INTRODUCING RACEMIC MIXTURE INTO CENTRIFUGE COLUMN, ELUTING ENANTIOMERS | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES | 2002-01-08 | — | — | US | disclosed |
| EP-0759934-B1 | NEUROTENSIN ANTAGONIST PEPTIDES | RHONE POULENC RORER SA (FR) | 1999-04-14 | — | — | EP | disclosed |
| EP-0776333-A1 | PEPTIDE ANTAGONIST INTERMEDIATES OF NEUROTENSIN | Aventis Pharma S.A. (FR) | 1997-06-04 | — | — | EP | disclosed |
| EP-0759934-A1 | NEUROTENSIN ANTAGONIST PEPTIDES | Aventis Pharma S.A. (FR) | 1997-03-05 | — | — | EP | disclosed |
| WO-1995032217-A1 | PEPTIDE ANTAGONIST INTERMEDIATES OF NEUROTENSIN | RHONE-POULENC RORER S.A. (FR) | 1995-11-30 | — | — | WO | disclosed |
| WO-1995032218-A1 | NEUROTENSIN ANTAGONIST PEPTIDES | RHONE-POULENC RORER S.A. (FR) | 1995-11-30 | — | — | WO | disclosed |
| EP-0340247-B1 | NEW PROCESS FOR THE ANTIPODAL SEPARATION OF BICYCLO 3.3.0]OCTANE-3,7-DION-2-CARBOXYLIC ACID ESTERS AND THEIR 7-MONOCETALS | SCHERING AKTIENGESELLSCHAFT (DE) | 1993-04-28 | — | — | EP | disclosed |
| EP-0340247-A1 | NEW PROCESS FOR THE ANTIPODAL SEPARATION OF BICYCLO 3.3.0]OCTANE-3,7-DION-2-CARBOXYLIC ACID ESTERS AND THEIR 7-MONOCETALS. | SCHERING AG (DE) | 1989-11-08 | — | — | EP | disclosed |
| WO-1988007050-A1 | NEW PROCESS FOR THE ANTIPODAL SEPARATION OF BICYCLO[3.3.0]OCTANE-3,7-DION-2-CARBOXYLIC ACID ESTERS AND THEIR 7-MONOCETALS | SCHERING AKTIENGESELLSCHAFT (DE) | 1988-09-22 | — | — | WO | disclosed |