⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9837597 | 0.78 | — | — | |
| SCHEMBL9836567 | 0.73 | — | — | |
| SCHEMBL8231316 | 0.73 | NOS3 (0.33) | — | |
| SCHEMBL9834672 | 0.71 | KDM4E (0.39) | — | |
| SCHEMBL5283509 | 0.64 | ALOX5 (0.40) | — | |
| SCHEMBL13299219 | 0.63 | DRD2 (0.32) | — | |
| SCHEMBL6588086 | 0.63 | ALDH1A1 (0.46) | — | |
| SCHEMBL27516360 | 0.62 | FNTA (0.32) | — | |
| SCHEMBL9835543 | 0.62 | — | — | |
| SCHEMBL1367928 | 0.61 | ALDH1A1 (0.44) | — |
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-0240107-B1 | THIANAPHTHENE DERIVATIVES, THEIR PRODUCTION AND USE | Sankyo Company Limited (JP) | 1991-08-21 | — | — | EP | disclosed |
| US-5021444-A | Anticoagulants | SANKYO COMPANY LIMITED (JP) | 1991-06-04 | — | — | US | disclosed |
| US-4847272-A | ANTICOAGULANTS | SANKYO COMPANY LIMITED (JP) | 1989-07-11 | — | — | US | disclosed |
| EP-0240107-A1 | Thianaphthene derivatives, their production and use | Sankyo Company Limited (JP) | 1987-10-07 | — | — | EP | disclosed |