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 | |
|---|---|---|---|---|
| Potassium Ion SCHEMBL18187072 | 0.93 | — | — | |
| Chloromethane SCHEMBL10863408 | 0.91 | — | — | |
| Methylene Chloride SCHEMBL10861450 | 0.89 | — | — | |
| Alcohol SCHEMBL10859954 | 0.87 | ALDH1A1 (0.30) | — | |
| SCHEMBL7909496 | 0.85 | — | — | |
| 2-Chloroethanol SCHEMBL10859648 | 0.83 | — | — | |
| Propanol SCHEMBL10861883 | 0.83 | — | — | |
| Trichlorethanol SCHEMBL10857539 | 0.81 | — | — | |
| SCHEMBL10583900 | 0.78 | — | — | |
| SCHEMBL1168334 | 0.78 | — | — |
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-0627438-B1 | METHANEDIPHOSPHONATE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND PHARMACEUTICAL USE THEREOF | TORAY INDUSTRIES (JP) | 1999-01-13 | — | — | EP | disclosed |
| US-5565440-A | ANTIINFLAMMATORY, ANTIPYRITIC, ANALGESIC, ANTIRHEUMATIC, ANTIARTHRITIC OR ANTIOSTEOPROSIS AGENT | TORAY INDUSTRIES, INC. (JP) | 1996-10-15 | — | — | US | disclosed |
| EP-0627438-A1 | METHANEDIPHOSPHONATE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND PHARMACEUTICAL USE THEREOF | TORAY INDUSTRIES, INC. (JP) | 1994-12-07 | — | — | EP | disclosed |