⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28240000 | 0.69 | — | — | |
| SCHEMBL10688319 | 0.69 | — | — | |
| SCHEMBL538918 | 0.67 | — | — | |
| SCHEMBL3584559 | 0.67 | — | — | |
| SCHEMBL8541771 | 0.67 | — | — | |
| SCHEMBL18293158 | 0.67 | — | — | |
| SCHEMBL29187297 | 0.65 | KDM4E (0.43) | — | |
| SCHEMBL3671209 | 0.65 | — | — | |
| SCHEMBL22444479 | 0.63 | — | — | |
| SCHEMBL10524571 | 0.63 | MCL1 (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4168244-A | CONJUGATED DIOLEFINS TO HIGH MOLECULAR WEIGHT STEREOREGULAR POLYMERS | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1979-09-18 | — | — | US | claimed |
| US-4048418-A | Method of polymerization of conjugated diolefins using iron catalysts and nitrogen ligands | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1977-09-13 | — | — | US | claimed |
| US-4168244-A | CONJUGATED DIOLEFINS TO HIGH MOLECULAR WEIGHT STEREOREGULAR POLYMERS | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1979-09-18 | — | — | US | disclosed |
| US-4048418-A | Method of polymerization of conjugated diolefins using iron catalysts and nitrogen ligands | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1977-09-13 | — | — | US | disclosed |