Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Trichlorethanol. 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 | |
|---|---|---|---|---|
| Trichlorethanol SCHEMBL10862958 | 1.00 | — | — | |
| Trichlorethanol SCHEMBL10859082 | 0.95 | — | — | |
| Trichlorethanol SCHEMBL11101256 | 0.95 | — | — | |
| Trichlorethanol SCHEMBL10857539 | 0.89 | — | — | |
| SCHEMBL11101746 | 0.78 | — | — | |
| Chloromethane SCHEMBL10856260 | 0.78 | — | — | |
| Chloromethane SCHEMBL10861781 | 0.78 | — | — | |
| 2-Chloroethanol SCHEMBL10861371 | 0.77 | — | — | |
| SCHEMBL10860105 | 0.76 | — | — | |
| SCHEMBL10862181 | 0.76 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4579720-A | USING HYDROXYMETHANE DIPHOSPHONIC ACID | PLAINS CHEMICAL DEVELOPMENT CO. (US) | 1986-04-01 | — | — | US | disclosed |
| US-4440646-A | HYDROXY OR HALOALKANEPHOSPHONATES | PLAINS CHEMICAL DEVELOPMENT CO. (US) | 1984-04-03 | — | — | US | disclosed |
| US-4188234-A | STABILIZATION OF VINYL POLYMERS, POLYPHOSPHONIC ACID CHELATING AGENT, PROTECTIVE COATINGS | PLAINS CHEMICAL DEVELOPMENT CO. (US) | 1980-02-12 | — | — | US | disclosed |
| US-4116990-A | OF NON-ALKALI METAL IONS WITH PHOSPHORUS CHELATING COMPOUND | PLAINS CHEMICAL DEVELOPMENT CO. (US) | 1978-09-26 | — | — | US | disclosed |
| US-4020091-A | TIN SALTS OF POLYPHOSPHONIC ACIDS | PLAINS CHEMICAL DEVELOPMENT CO. (US) | 1977-04-26 | — | — | US | disclosed |