Known targets — ChEMBL curated mechanism
AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA
The experimentally established mechanism targets of Benzene. 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL28150576 | 0.80 | — | — | |
| Benzene SCHEMBL28111834 | 0.80 | — | — | |
| Benzene SCHEMBL28131518 | 0.80 | — | — | |
| Benzene SCHEMBL28104303 | 0.80 | — | — | |
| Benzene SCHEMBL5692708 | 0.80 | — | — | |
| Benzene SCHEMBL26118037 | 0.80 | TP53 (0.60) | — | |
| Benzene SCHEMBL27960990 | 0.80 | TP53 (0.60) | — | |
| Benzene SCHEMBL28876317 | 0.79 | TSHR (0.38) | — | |
| Benzene SCHEMBL1330958 | 0.78 | — | — | |
| Benzene SCHEMBL8576855 | 0.78 | TSHR (1.00) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108069847-A | A kind of new method for synthesizing Trepibutone | 湖南尔康制药股份有限公司 | 2018-05-25 | — | — | CN | claimed |
| CN-106577749-A | Summer sleeping mat disinfectant liquid | 青岛源之林农业科技开发有限公司 | 2017-04-26 | — | — | CN | claimed |
| CN-106577749-A | Summer sleeping mat disinfectant liquid | 青岛源之林农业科技开发有限公司 | 2017-04-26 | — | — | CN | disclosed |
| US-5902884-A | REACTING CARBAZOLE OR ALKYL, ALKOXY, NITRO OR HALOGEN SUBSTITUED DERIVATIVE WITH AN ALKYL HALIDE IN AN INERT SOLVENT WITH AN INORGANIC BASE AND DI- OR TRI-, ALKYLAMINE CATALYST; NO AFTERTREATMENT REQUIRED TO REMOVE CATALYST | CLARIANT GMBH (DE) | 1999-05-11 | — | — | US | disclosed |
| EP-0102194-B1 | 3-PHENOXY-1-AZETIDINECARBOXAMIDES AND THEIR USE AND PREPARATION | A.H. ROBINS COMPANY, INCORPORATED (US) | 1986-10-22 | — | — | EP | disclosed |
| EP-0102740-A1 | N-formyl and n-hydroxymethyl-3-phenoxy-1-azetidinecarboxamides and their preparation and use | A.H. ROBINS COMPANY, INCORPORATED (US) | 1984-03-14 | — | — | EP | disclosed |
| EP-0102194-A1 | 3-Phenoxy-1-azetidinecarboxamides and their use and preparation | A.H. ROBINS COMPANY, INCORPORATED (US) | 1984-03-07 | — | — | EP | disclosed |
| US-4379151-A | 3-Phenoxyazetidines for anorexigenic activity | A. H. ROBINS COMPANY, INC. (US) | 1983-04-05 | — | — | US | disclosed |