⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3093072 | 0.94 | CA1 (0.31) | — | |
| SCHEMBL9677995 | 0.84 | CYP1A2 (0.41) | — | |
| SCHEMBL8047846 | 0.82 | ALDH1A1 (0.38) | — | |
| SCHEMBL9670422 | 0.82 | — | — | |
| SCHEMBL4231884 | 0.80 | ALDH1A1 (0.41) | — | |
| SCHEMBL2826754 | 0.77 | — | — | |
| SCHEMBL17672276 | 0.75 | CYP1A2 (0.38) | — | |
| SCHEMBL3102941 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL5069141 | 0.72 | — | — | |
| SCHEMBL4266578 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9758688-B2 | Composition for forming conductive film | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2017-09-12 | — | — | US | disclosed |
| US-20150275015-A1 | COMPOSITION FOR FORMING CONDUCTIVE FILM | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2015-10-01 | — | — | US | disclosed |
| US-6245328-B1 | USING MIXTURE CONTAINING STEREOISOMER OF 3-HYDROXYHEXAN-2-ONE AND TWO STEREOISOMERS OF HEXANE-2,3-DIOL | BASF AKTIENGESELLSCHAFT (DE) | 2001-06-12 | — | — | US | disclosed |
| EP-0789512-B1 | MIXTURES AND AGENTS SUITABLE FOR COMBATTING HYLOTRUPES BAJULUS AND PYRRHIDIUM SANGUINEUM | BASF AG (DE) | 1999-01-07 | — | — | EP | disclosed |
| US-4820691-A | HYPOTENSIVE AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1989-04-11 | — | — | US | disclosed |
| EP-0296581-A2 | Amino acid 1,2-diketo derivatives as renin inhibitors | E.R. SQUIBB & SONS, INC. (US) | 1988-12-28 | — | — | EP | disclosed |