⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5659316 | 0.86 | — | — | |
| SCHEMBL471895 | 0.82 | METAP2 (0.30) | — | |
| SCHEMBL5659747 | 0.78 | — | — | |
| SCHEMBL207579 | 0.72 | NOTUM (0.42) | — | |
| SCHEMBL3494906 | 0.71 | CYP3A4 (0.41) | — | |
| SCHEMBL21800805 | 0.70 | LCK (0.39) | — | |
| Hydrochloric Acid SCHEMBL4163349 | 0.69 | NOTUM (0.40) | — | |
| SCHEMBL30153423 | 0.69 | CYP3A4 (0.44) | — | |
| SCHEMBL8604906 | 0.69 | — | — | |
| SCHEMBL762073 | 0.69 | — | — |
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-0177111-B1 | METHOD OF TREATING TEXTILES | TORAY INDUSTRIES, INC. (JP) | 1989-09-27 | — | — | EP | disclosed |
| US-4786288-A | COAGULATION | TORAY INDUSTRIES INCORPORATED (JP) | 1988-11-22 | — | — | US | disclosed |
| EP-0177111-A2 | Method of treating textiles | TORAY INDUSTRIES, INC. (JP) | 1986-04-09 | — | — | EP | disclosed |