⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1078077 | 0.87 | CES2 (0.30) | — | |
| SCHEMBL30310732 | 0.84 | CA12 (0.33) | — | |
| SCHEMBL126922 | 0.84 | CA12 (0.33) | — | |
| Lithium Ion SCHEMBL29831019 | 0.82 | CA12 (0.32) | — | |
| SCHEMBL29831158 | 0.82 | CA1 (0.32) | — | |
| SCHEMBL1450875 | 0.82 | CA12 (0.32) | — | |
| Lithium Ion SCHEMBL1451173 | 0.82 | CA12 (0.32) | — | |
| SCHEMBL1451434 | 0.82 | CA1 (0.32) | — | |
| SCHEMBL29830730 | 0.82 | CA12 (0.32) | — | |
| Benzene SCHEMBL29855981 | 0.80 | CA12 (0.31) | — |
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-20030023013-A1 | Catalyst and methods for polymerizing cycloolefins | THE B.F.GOODRICH COMPANY | 2003-01-30 | — | — | US | claimed |