⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31283823 | 0.66 | — | — | |
| SCHEMBL28265944 | 0.63 | KDM4E (0.31) | — | |
| SCHEMBL11148732 | 0.62 | — | — | |
| SCHEMBL13233213 | 0.61 | DDB1 (0.39) | — | |
| SCHEMBL18642985 | 0.61 | CTDSP1 (0.58) | — | |
| SCHEMBL15719546 | 0.61 | ALDH1A1 (0.43) | — | |
| SCHEMBL20844765 | 0.60 | NOTUM (0.30) | — | |
| SCHEMBL27488323 | 0.59 | — | — | |
| SCHEMBL27364865 | 0.58 | — | — | |
| SCHEMBL24690840 | 0.58 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0146797-B1 | 2-AMINOTHIOPHENE COMPOUNDS | BAYER AG (DE) | 1991-09-11 | — | — | EP | disclosed |
| EP-0177965-B1 | NOVEL OXA- AND THIADIAZOLYL DERIVATIVES AND THEIR USE | SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) | 1990-03-21 | — | — | EP | disclosed |
| US-4705786-A | Novel oxadiazolyl-1,4-dihydropyridines useful as antihypertensive agents | SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) | 1987-11-10 | — | — | US | disclosed |
| EP-0146797-A1 | 2-Aminothiophene compounds | BAYER AG (DE) | 1985-07-03 | — | — | EP | disclosed |