⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6677627 | 0.88 | OPRM1 (0.32) | — | |
| SCHEMBL6676488 | 0.83 | DNM1 (0.30) | — | |
| SCHEMBL6911323 | 0.76 | DNM1 (0.37) | — | |
| SCHEMBL6672569 | 0.75 | FFAR1 (0.32) | — | |
| SCHEMBL6907025 | 0.75 | GPR84 (0.35) | — | |
| SCHEMBL6911461 | 0.75 | NR1I2 (0.41) | — | |
| SCHEMBL6561176 | 0.73 | TRPA1 (0.35) | — | |
| SCHEMBL6910830 | 0.73 | OPRM1 (0.35) | — | |
| SCHEMBL6913100 | 0.73 | NR1I2 (0.38) | — | |
| Hexane SCHEMBL28866581 | 0.70 | SOAT1 (0.30) | — |
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-6300450-B1 | Conjugated diene compound polymerization catalyst process for the preparation of conjugated diene polymer in the presence thereof and polybutadiene thus prepared | UBE INDUSTRIES, LTD. (JP) | 2001-10-09 | — | — | US | disclosed |