⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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 | |
|---|---|---|---|---|
| SCHEMBL11419954 | 0.84 | — | — | |
| SCHEMBL8678117 | 0.76 | MEN1 (0.33) | — | |
| SCHEMBL11358276 | 0.72 | — | — | |
| SCHEMBL11354143 | 0.68 | — | — | |
| SCHEMBL19784615 | 0.65 | — | — | |
| SCHEMBL8837698 | 0.64 | — | — | |
| SCHEMBL11773986 | 0.64 | — | — | |
| SCHEMBL186373 | 0.64 | ALDH1A1 (0.30) | — | |
| SCHEMBL10796302 | 0.63 | CYP2C9 (0.31) | — | |
| SCHEMBL21295306 | 0.61 | KMT2A (0.35) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0036378-B1 | PROCESS FOR THE PREPARATION OF CHLOROPHENOLS | RHONE-POULENC SPECIALITES CHIMIQUES (FR) | 1983-07-06 | — | — | EP | claimed |
| US-4351969-A | Preparation of chlorophenols | RHONE-POULENC INDUSTRIES (FR) | 1982-09-28 | — | — | US | claimed |
| US-4166914-A | Production of o-alkoxyphenols | Van Winckel, Carl E. (CA) | 1979-09-04 | — | — | US | claimed |
| US-4351969-A | Preparation of chlorophenols | RHONE-POULENC INDUSTRIES (FR) | 1982-09-28 | — | — | US | disclosed |
| US-4268694-A | HYDROLYSIS OF TETRAHALOCYCLOHEXANONE | FISONS LIMITED (GB) | 1981-05-19 | — | — | US | disclosed |
| US-4267378-A | 2,2-Dialkoxy-6-chlorocyclohexanones | Van Winckel, Carl E. (CA) | 1981-05-12 | — | — | US | disclosed |
| US-4219505-A | HALOGENATION OF A CYCLOHEXANOME WITH AN ORGANOPHOSPHOROUS CATALYST | FISONS LIMITED (GB) | 1980-08-26 | — | — | US | disclosed |
| US-4166914-A | Production of o-alkoxyphenols | Van Winckel, Carl E. (CA) | 1979-09-04 | — | — | US | disclosed |
| US-3927106-A | Preparation of tetrachlorocyclo-hexanone | QO CHEMICALS, INC. | 1975-12-16 | — | — | US | disclosed |
| US-3894087-A | Method of producing 2,2,6-trichlorocyclo-hexanone and compositions thereof | QO CHEMICALS, INC. | 1975-07-08 | — | — | US | disclosed |
| US-3894087-A | Method of producing 2,2,6-trichlorocyclo-hexanone and compositions thereof | QO CHEMICALS, INC. | 1975-07-08 | — | — | US | disclosed |