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 | |
|---|---|---|---|---|
| SCHEMBL10716278 | 0.93 | ALDH1A1 (0.33) | — | |
| SCHEMBL11022399 | 0.93 | ALDH1A1 (0.33) | — | |
| SCHEMBL10976026 | 0.93 | ALDH1A1 (0.33) | — | |
| SCHEMBL6739107 | 0.77 | — | — | |
| SCHEMBL9892907 | 0.77 | — | — | |
| Propylene Glycol SCHEMBL29008138 | 0.71 | TDP1 (0.59) | — | |
| SCHEMBL3679827 | 0.69 | — | — | |
| SCHEMBL15843590 | 0.69 | — | — | |
| SCHEMBL2403863 | 0.69 | — | — | |
| SCHEMBL7064005 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0063464-B1 | FUNGICIDAL COMPOSITION COMPRISING ALPHA-SUBSTITUTED ETHYLPHOSPHINIC ACIDS OR THEIR SALTS, AND METHOD OF PREVENTING OR CURING PLANT DISEASE USING THEM | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1985-02-20 | — | — | EP | disclosed |
| US-4473561-A | Fungicidal composition comprising alpha-substituted ethylphosphinic acids or their salts | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1984-09-25 | — | — | US | disclosed |
| EP-0063464-A1 | Fungicidal composition comprising alpha-substituted ethylphosphinic acids or their salts, and method of preventing or curing plant disease using them | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1982-10-27 | — | — | EP | disclosed |