⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7073906 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL7067486 | 0.77 | — | — | |
| SCHEMBL7934073 | 0.69 | CYP11B2 (0.31) | — | |
| SCHEMBL17337847 | 0.65 | — | — | |
| SCHEMBL15914866 | 0.65 | — | — | |
| SCHEMBL8777529 | 0.63 | — | — | |
| SCHEMBL15915391 | 0.63 | CYP11B2 (0.31) | — | |
| Fluoride SCHEMBL28809045 | 0.63 | CYP11B2 (0.31) | — | |
| SCHEMBL6322444 | 0.63 | — | — | |
| SCHEMBL8083724 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6656867-B2 | Coordination catalyst | THE GOODYEAR TIRE & RUBBER COMPANY | 2003-12-02 | — | — | US | disclosed |
| US-20030119662-A1 | Transition metal catalysts for diene polymerizations | THE GOODYEAR TIRE & RUBBER COMPANY | 2003-06-26 | — | — | US | disclosed |
| US-6479601-B1 | Transition metal catalysts for diene polymerizations | THE GOODYEAR TIRE & RUBBER COMPANY | 2002-11-12 | — | — | US | disclosed |