⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16592693 | 0.78 | TYMS (0.33) | — | |
| SCHEMBL241061 | 0.69 | PARP1 (0.42) | — | |
| SCHEMBL16592685 | 0.68 | TYMS (0.31) | — | |
| SCHEMBL16668945 | 0.66 | MPO (0.44) | — | |
| SCHEMBL4424548 | 0.66 | ALDH1A1 (0.32) | — | |
| SCHEMBL31571279 | 0.66 | TYMS (0.30) | — | |
| SCHEMBL7921225 | 0.65 | APOBEC3G (0.39) | — | |
| SCHEMBL7919332 | 0.65 | SCN4A (0.30) | — | |
| SCHEMBL27419934 | 0.65 | PTGER4 (0.35) | — | |
| SCHEMBL16765183 | 0.64 | CSF1R (0.39) | — |
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-6184306-B1 | USEFUL IN SILICA-FILLED RUBBER COMPOSITIONS AND PROCESSING OF A SULFUR CURABLE RUBBER COMPOSITION CONTAINING SILICA | THE GOODYEAR TIRE & RUBBER COMPANY | 2001-02-06 | — | — | US | disclosed |
| US-6096832-A | ADDITIVE FOR SULFUR VULCANIZABLE RUBBER COMPOSITION COMPRISING AN ELASTOMER CONTAINING OLEFINIC UNSATURATION, SILICA | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 2000-08-01 | — | — | US | disclosed |
| EP-0939081-A1 | Asymmetrical siloxy compounds | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1999-09-01 | — | — | EP | disclosed |