⚠ 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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL28297945 | 0.97 | ALDH1A1 (0.52) | — | |
| SCHEMBL191201 | 0.80 | — | — | |
| SCHEMBL1817956 | 0.80 | — | — | |
| SCHEMBL1817571 | 0.77 | ALDH1A1 (0.36) | — | |
| SCHEMBL7735306 | 0.77 | CYP1A2 (0.47) | — | |
| SCHEMBL1816557 | 0.77 | ALDH1A1 (0.36) | — | |
| SCHEMBL686929 | 0.75 | — | — | |
| SCHEMBL29661770 | 0.75 | — | — | |
| SCHEMBL1968056 | 0.72 | — | — | |
| SCHEMBL467333 | 0.72 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108409618-B | A kind of method of light/nickel concerted catalysis synthesis 3- methylthio diphenylamine | 陕西师范大学 | 2019-10-25 | — | — | CN | disclosed |
| CN-103328481-A | Inhibitors of notum pectinacetylesterase and methods of their use | LEXICON PHARMACEUTICALS INC | 2013-09-25 | — | — | CN | disclosed |
| US-6746562-B2 | STABLE CROSSLINKED STRUCTURE AT ROOM TEMPERATURE, THEREBY HAVING RUBBER PLASTICITY, SUFFICIENT MELT FLOWABILITY AND REPEATED CROSSLINKING FORMATION AND DISSOCIATION | THE YOKOHAMA RUBBER CO., LTD (JP) | 2004-06-08 | — | — | US | disclosed |
| US-20040059060-A1 | Thermo-reversible, crosslinkable elastomer and composition thereof | CHINO KEISUKE (JP) | 2004-03-25 | — | — | US | disclosed |
| WO-2001062720-A1 | METHOD FOR PRODUCING 1-CHLORO-4-[4-(ALKYLTHIO)PHENOXY]-BENZENES | BAYER AKTIENGESELLSCHAFT (DE) | 2001-08-30 | — | — | WO | disclosed |
| US-5801201-A | 1-phenyl-2-dimenthylaminomethyl-cyclohexan-1-ol compounds as pharmaceutical active ingredients | GRUENENTHAL GMBH (DE) | 1998-09-01 | — | — | US | disclosed |
| CN-1138458-A | Treatment and prevention of prostatic cancer | LILLY CO ELI (US) | 1996-12-25 | — | — | CN | disclosed |
| EP-0626940-A1 | SUBSTITUTED PHENYLETHENYL COMPOUNDS HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY | ALLERGAN, INC. (US) | 1994-12-07 | — | — | EP | disclosed |
| US-5326898-A | Substituted phenylethenyl compounds having retinoid-like biological activity | ALLERGAN, INC. (US) | 1994-07-05 | — | — | US | disclosed |
| WO-1993016029-A1 | SUBSTITUTED PHENYLETHENYL COMPOUNDS HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY | ALLERGAN, INC. (US) | 1993-08-19 | — | — | WO | disclosed |