⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1054248 | 0.97 | — | — | |
| SCHEMBL1054685 | 0.92 | — | — | |
| SCHEMBL10961461 | 0.91 | — | — | |
| SCHEMBL1057926 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL10961454 | 0.91 | — | — | |
| SCHEMBL10957597 | 0.90 | — | — | |
| SCHEMBL1058201 | 0.90 | — | — | |
| SCHEMBL1057372 | 0.90 | — | — | |
| SCHEMBL1056628 | 0.90 | — | — | |
| SCHEMBL10964424 | 0.89 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4552883-A | CNS DEPRESSANTS, ANXIOLYTICS | ICI AMERICAS INC. (US) | 1985-11-12 | — | — | US | disclosed |
| EP-0096995-A2 | Pyrazolopyridine compounds | ICI AMERICAS INC. (US) | 1983-12-28 | — | — | EP | disclosed |