⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3830692 | 0.79 | CYP1A2 (0.39) | — | |
| SCHEMBL1001307 | 0.79 | — | — | |
| SCHEMBL4438167 | 0.78 | — | — | |
| SCHEMBL3851050 | 0.77 | — | — | |
| SCHEMBL39563 | 0.77 | — | — | |
| SCHEMBL379936 | 0.77 | — | — | |
| SCHEMBL51414 | 0.76 | — | — | |
| SCHEMBL3850076 | 0.76 | ALDH1A1 (0.31) | — | |
| Charcoal, Activated SCHEMBL7918760 | 0.75 | — | — | |
| SCHEMBL4321193 | 0.75 | — | — |
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-6727374-B2 | TRIALKOXYSILYLHYDROCARBYL CYCLOHEXYL DISULFIDE, MADE BY REACTING N-CYCLOHEXYLTHIOPHTHALIMIDE AND A MERCAPTOALKOXYSILANE; SULFUR VULCANIZED RUBBER TIRES, BELTS AND HOSES | THE GOODYEAR TIRE & RUBBER COMPANY | 2004-04-27 | — | — | US | disclosed |
| US-20010056142-A1 | Asymmetrical siloxy disulfide compounds | THE GOODYEAR TIRE & RUBBER COMPANY. | 2001-12-27 | — | — | US | disclosed |
| US-6300397-B1 | MIXING SULFUR VULCANIZABLE ELASTOMER SELECTED FROM CONJUGATED DIENE HOMOPOLYMERS AND COPOLYMERS AND FROM COPOLYMERS OF CONJUGATED DIENE AND AROMATIC VINYL COMPOUND, PARTICULATE PRECIPITATED SILICA, SILOXY CYCLOHEXYL DISULFIDE COMPOUND | THE GOODYEAR TIRE & RUBBER COMPANY | 2001-10-09 | — | — | US | disclosed |