⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7794437 | 0.74 | PDPK1 (0.31) | — | |
| SCHEMBL10837691 | 0.68 | — | — | |
| SCHEMBL147747 | 0.67 | — | — | |
| SCHEMBL4311977 | 0.67 | — | — | |
| SCHEMBL9732647 | 0.64 | — | — | |
| SCHEMBL456135 | 0.64 | — | — | |
| SCHEMBL8572037 | 0.64 | — | — | |
| SCHEMBL17423650 | 0.64 | — | — | |
| SCHEMBL8610656 | 0.64 | — | — | |
| SCHEMBL1046484 | 0.62 | ALDH1A1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0283310-B1 | N-BENZHYDRYL-SUBSTITUTED HETEROCYCLIC DERIVATIVES, THEIR PREPARATION AND THEIR USE | Sankyo Company Limited (JP) | 1993-05-26 | — | — | EP | disclosed |
| US-5028610-A | Calcium Channel Blockers | SANKYO COMPANY LIMITED (JP) | 1991-07-02 | — | — | US | disclosed |
| EP-0283310-A1 | N-Benzhydryl-substituted heterocyclic derivatives, their preparation and their use | Sankyo Company Limited (JP) | 1988-09-21 | — | — | EP | disclosed |