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 | |
|---|---|---|---|---|
| SCHEMBL27614609 | 0.97 | — | — | |
| SCHEMBL27720603 | 0.97 | LMNA (0.53) | — | |
| SCHEMBL15882 | 0.97 | — | — | |
| SCHEMBL12087712 | 0.97 | — | — | |
| Iodide SCHEMBL8161945 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL16753000 | 0.93 | — | — | |
| SCHEMBL29712488 | 0.93 | LMNA (0.50) | — | |
| Ammonia Solution, Strong SCHEMBL11833381 | 0.93 | — | — | |
| SCHEMBL5763450 | 0.93 | — | — | |
| Methane SCHEMBL3663242 | 0.93 | — | — |
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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1142803-C | Intumescent flame retardant compositions for high temperature and long term protection | — | 2004-03-24 | — | — | CN | claimed |
| CN-1294528-A | Intumescent fire-retardant compsn. for high temp and long duration protection | NO FIRE TECH INC (US) | 2001-05-09 | — | — | CN | claimed |
| US-11814401-B2 | Luminescent material and electroluminescent display device using the same | LG DISPLAY CO., LTD (KR) | 2023-11-14 | — | — | US | disclosed |
| US-11495755-B2 | Organic electroluminescent materials and devices | UNIVERSAL DISPLAY CORPORATION (US) | 2022-11-08 | — | — | US | disclosed |
| US-20210198298-A1 | LUMINESCENT MATERIAL AND ELECTROLUMINESCENT DISPLAY DEVICE USING THE SAME | LG DISPLAY CO., LTD. (KR) | 2021-07-01 | — | — | US | disclosed |
| US-10944063-B2 | Organometallic compound and organic light-emitting device including the same | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2021-03-09 | — | — | US | disclosed |
| US-10870796-B2 | Organic light emitting polymer comprising light-emitting repeat unit in backbone of polymer and device therewith | CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) | 2020-12-22 | — | — | US | disclosed |
| EP-3719099-A1 | PHOSPHORESCENT MATERIALS | Universal Display Corporation (US) | 2020-10-07 | — | — | EP | disclosed |
| US-20200176693-A1 | ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES | UNIVERSAL DISPLAY CORPORATION (US) | 2020-06-04 | — | — | US | disclosed |
| EP-3327100-B1 | PHOSPHORESCENT MATERIALS | UNIVERSAL DISPLAY CORP (US) | 2020-05-06 | — | — | EP | disclosed |
| US-10600975-B2 | Organic electroluminescent materials and devices | UNIVERSAL DISPLAY CORPORATION (US) | 2020-03-24 | — | — | US | disclosed |
| CN-1143418-A | Stable ionomeric photoresist emulsion and process of preparation and use thereof | GRACE W R & CO (US) | 1997-02-19 | — | — | CN | disclosed |
| EP-0714391-A1 | SUBSTITUTED 2(5H)FURANONE, 2(5H)THIOPHENONE AND 2(5H)PYRROLONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS | WARNER-LAMBERT COMPANY (US) | 1996-06-05 | — | — | EP | disclosed |
| WO-1995005376-A1 | SUBSTITUTED 2(5H)FURANONE, 2(5H)THIOPHENONE AND 2(5H)PYRROLONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS | WARNER-LAMBERT COMPANY (US) | 1995-02-23 | — | — | WO | disclosed |
| EP-0280434-B1 | AROMATIC DISAZO COMPOUND | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-01-22 | — | — | EP | disclosed |
| US-4908435-A | Aromatic disazo compounds having strong infra-red absorption | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-03-13 | — | — | US | disclosed |
| EP-0280434-A2 | Aromatic disazo compound | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-08-31 | — | — | EP | disclosed |
| US-4652660-A | OXIDATION | BAYER AKTIENGESELLSCHAFT (DE) | 1987-03-24 | — | — | US | disclosed |
| US-4299966-A | Process for the preparation of 4,4',7,7'-tetrachlorthioindigo in pigment form | BAYER AKTIENGESELLSCHAFT (DE) | 1981-11-10 | — | — | US | disclosed |
| US-4104180-A | HYDROLYZING A METAL ALKOXYALKOXIDE, CARBONATION; DETERGENT ADDITIVES FOR LUBRICANTS | EXXON RESEARCH & ENGINEERING CO. (US) | 1978-08-01 | — | — | US | disclosed |