⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6809374 | 0.93 | — | — | |
| SCHEMBL23023815 | 0.79 | NPC1 (0.33) | — | |
| SCHEMBL8227632 | 0.77 | — | — | |
| SCHEMBL27964409 | 0.76 | — | — | |
| SCHEMBL27991537 | 0.71 | — | — | |
| SCHEMBL517101 | 0.71 | — | — | |
| SCHEMBL29141986 | 0.70 | — | — | |
| SCHEMBL9163351 | 0.69 | — | — | |
| SCHEMBL28812297 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL5705399 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0919574-B1 | Polymerization catalyst, process for the preparation of conjugated diene polymer in the presence thereof and polybutadiene thus prepared | UBE INDUSTRIES (JP) | 2004-02-11 | — | — | EP | disclosed |
| EP-0919574-A1 | Polymerization catalyst, process for the preparation of conjugated diene polymer in the presence thereof and polybutadiene thus prepared | Ube Industries, Ltd. (JP) | 1999-06-02 | — | — | EP | disclosed |