⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6053931 | 0.77 | — | — | |
| SCHEMBL6914434 | 0.77 | — | — | |
| SCHEMBL6906692 | 0.75 | — | — | |
| SCHEMBL27619049 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL6813201 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL3892698 | 0.70 | — | — | |
| SCHEMBL27619294 | 0.63 | — | — | |
| SCHEMBL27482198 | 0.63 | — | — | |
| SCHEMBL27832567 | 0.63 | NPC1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL970526 | 0.62 | — | — |
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 |