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 SCHEMBL18237167 | 1.00 | LMNA (0.38) | — | |
| Water SCHEMBL15902365 | 1.00 | LMNA (0.38) | — | |
| Water SCHEMBL15902637 | 1.00 | LMNA (0.38) | — | |
| Water SCHEMBL18345413 | 1.00 | LMNA (0.38) | — | |
| Water SCHEMBL3326761 | 1.00 | LMNA (0.38) | — | |
| Water SCHEMBL16010847 | 1.00 | — | — | |
| SCHEMBL23396 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL1963161 | 0.86 | — | — | |
| SCHEMBL1992930 | 0.80 | — | — | |
| SCHEMBL1994070 | 0.80 | — | — |
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 114 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118117080-B | Preparation method of graphene composite material for lithium battery | 北京郅航科技有限公司 | 2024-07-02 | — | — | CN | disclosed |
| EP-4387966-A1 | PYRIDAZINONE OR PYRIDINONE COMPOUNDS, PREPARATION METHODS AND USES THEREOF | InventisBio Co., Ltd. (CN) | 2024-06-26 | — | — | EP | disclosed |
| CN-118146521-A | Hydrogen bond organic framework material with nitrobenzene fluorescence responsiveness, preparation and application | 中国科学院理化技术研究所 | 2024-06-07 | — | — | CN | disclosed |
| CN-118117080-A | Preparation method of graphene composite material for lithium battery | 北京郅航科技有限公司 | 2024-05-31 | — | — | CN | disclosed |
| US-11891404-B2 | Substituted macrocyclic indole derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 2024-02-06 | — | — | US | disclosed |
| CN-117486908-A | Iodine atom modified organic room temperature phosphorescence isomerism scintillator, preparation method and application | 南京邮电大学 | 2024-02-02 | — | — | CN | disclosed |
| CN-117486909-A | Pure organic phosphorescence scintillator without heavy atom modification, preparation method and application thereof | 南京邮电大学 | 2024-02-02 | — | — | CN | disclosed |
| EP-3753937-B1 | ATR INHIBITOR AND APPLICATION THEREOF | WUXI BIOCITY BIOPHARMACEUTICS CO LTD (CN) | 2024-01-10 | — | — | EP | disclosed |
| CN-111757884-B | Substituted macrocyclic indole derivatives | 拜耳股份公司 | 2023-12-19 | — | — | CN | disclosed |
| CN-117185883-A | Method for preparing carboxylic ester by iron-catalyzed alcohol oxidation esterification | 复旦大学 | 2023-12-08 | — | — | CN | disclosed |
| CN-106633004-A | Conjugated polymer based on naphthothio dibenzofuran unit as well as preparation method and application thereof | 华南理工大学 | 2017-05-10 | — | — | CN | disclosed |
| CN-104870429-B | Benzofuran derivative, preparation method therefor, and medical application thereof | 四川海思科制药有限公司 | 2017-05-03 | — | — | CN | disclosed |
| CN-105001855-B | A kind of blue-fluorescence luminescent material and its application | 中节能万润股份有限公司 | 2017-03-01 | — | — | CN | disclosed |
| CN-106433187-A | Organic dye based on tetrathienopyrrole as well as preparation method and application thereof | 淮阴工学院 | 2017-02-22 | — | — | CN | disclosed |
| CN-106220503-A | A kind of synthetic method of ester type compound | 河南师范大学 | 2016-12-14 | — | — | CN | disclosed |
| CN-106187908-A | One class can use small molecule emitter material containing naphtho-indenes fluorenes unit that environmentally friendly solvent processes and preparation method and application | 华南理工大学 | 2016-12-07 | — | — | CN | disclosed |
| CN-106117216-A | A kind of method of atmospheric high efficiency synthesis 6H iso-indoles [2,1 a] indole 6 ketone compounds | 河南师范大学 | 2016-11-16 | — | — | CN | disclosed |
| CN-106008537-A | Bipolar body organic electroluminescent material and application thereof | 中节能万润股份有限公司 | 2016-10-12 | — | — | CN | disclosed |
| CN-105924629-A | Conjugated polymer based on naphthoindenofluorene unit as well as preparation method and application thereof | 华南理工大学 | 2016-09-07 | — | — | CN | disclosed |
| US-20090234151-A1 | Preparation of Mono-/Difluorinated Hydrocarbon Compounds | RHODIA CHIMIE (FR) | 2009-09-17 | — | — | US | disclosed |