⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7269495 | 0.65 | — | — | |
| SCHEMBL3542282 | 0.61 | — | — | |
| SCHEMBL29017880 | 0.56 | — | — | |
| SCHEMBL3293036 | 0.56 | — | — | |
| SCHEMBL1866399 | 0.56 | — | — | |
| SCHEMBL17185567 | 0.56 | — | — | |
| SCHEMBL6420085 | 0.56 | — | — | |
| SCHEMBL16238310 | 0.56 | — | — | |
| SCHEMBL5583489 | 0.55 | — | — | |
| SCHEMBL29035860 | 0.54 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5247079-A | Chemical intermediates for tranquilizers | ROUSSEL UCLAF (FR) | 1993-09-21 | — | — | US | disclosed |