Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| SCHEMBL17236 | 1.00 | — | — | |
| SCHEMBL9398161 | 1.00 | — | — | |
| SCHEMBL26885 | 1.00 | — | — | |
| SCHEMBL9701931 | 1.00 | — | — | |
| SCHEMBL6233000 | 0.94 | — | — | |
| Water SCHEMBL779387 | 0.94 | — | — | |
| SCHEMBL10667413 | 0.94 | — | — | |
| SCHEMBL10750832 | 0.94 | — | — | |
| SCHEMBL5850308 | 0.94 | — | — | |
| Water SCHEMBL10416553 | 0.94 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0189467-B1 | NITRATION PROCESS FOR 2,3-DICHLORO-1,4-XYLENE | RHONE-POULENC NEDERLAND B.V. (NL) | 1989-03-22 | — | — | EP | claimed |
| US-5418250-A | Hypotensive | SMITHKLINE BEECHAM CORPORATION (US) | 1995-05-23 | — | — | US | disclosed |
| EP-0537256-A1 | DETERSIVE SYSTEM CONTAINING WATER SOLUBLE FILM ARTICLE. | ECOLAB INC (US) | 1993-04-21 | — | — | EP | disclosed |
| US-5185351-A | Hypotensive agents; for treatment of congestive heart failure, renal failure and glaucoma | SMITHKLINE BEECHAM CORPORATION (US) | 1993-02-09 | — | — | US | disclosed |
| WO-1992001037-A1 | DETERSIVE SYSTEM CONTAINING WATER SOLUBLE FILM ARTICLE | ECOLAB INC. (US) | 1992-01-23 | — | — | WO | disclosed |
| EP-0189467-B1 | NITRATION PROCESS FOR 2,3-DICHLORO-1,4-XYLENE | RHONE-POULENC NEDERLAND B.V. (NL) | 1989-03-22 | — | — | EP | disclosed |
| EP-0189467-B1 | NITRATION PROCESS FOR 2,3-DICHLORO-1,4-XYLENE | RHONE-POULENC NEDERLAND B.V. (NL) | 1989-03-22 | — | — | EP | disclosed |
| EP-0189467-A1 | NITRATION PROCESS FOR 2,3-DICHLORO-1,4-XYLENE. | UNION CARBIDE CORP (US) | 1986-08-06 | — | — | EP | disclosed |
| WO-1986000890-A1 | NITRATION PROCESS FOR 2,3-DICHLORO-1,4-XYLENE | UNION CARBIDE CORPORATION (US) | 1986-02-13 | — | — | WO | disclosed |