⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9543842 | 0.79 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL7590532 | 0.76 | TSHR (0.33) | — | |
| SCHEMBL5428033 | 0.76 | TSHR (0.33) | — | |
| SCHEMBL3868791 | 0.75 | — | — | |
| SCHEMBL9718037 | 0.73 | HPGD (0.35) | — | |
| SCHEMBL3883972 | 0.72 | CA12 (0.33) | — | |
| SCHEMBL7178426 | 0.71 | — | — | |
| SCHEMBL9382388 | 0.71 | — | — | |
| SCHEMBL6859303 | 0.70 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL15697330 | 0.70 | LMNA (0.36) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020173468-A1 | MODIFIED CYTOSTATIC AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 2002-11-21 | — | — | US | disclosed |
| EP-0240366-B1 | Perhydrothiazepine and perhydroazepine derivatives, their preparation and their therapeutic use | SANKYO CO (JP) | 1994-01-26 | — | — | EP | disclosed |
| EP-0240366-A2 | Perhydrothiazepine and perhydroazepine derivatives, their preparation and their therapeutic use | Sankyo Company Limited (JP) | 1987-10-07 | — | — | EP | disclosed |