⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6391706 | 0.74 | TSHR (0.36) | — | |
| SCHEMBL49439 | 0.74 | FFAR3 (0.42) | — | |
| SCHEMBL9810225 | 0.72 | — | — | |
| SCHEMBL3910166 | 0.72 | ALOX15 (0.37) | — | |
| SCHEMBL17002612 | 0.72 | TSHR (0.44) | — | |
| SCHEMBL28143860 | 0.72 | FFAR3 (0.40) | — | |
| SCHEMBL28114211 | 0.72 | — | — | |
| SCHEMBL6445850 | 0.72 | — | — | |
| SCHEMBL7936281 | 0.71 | ALOX15 (0.36) | — | |
| SCHEMBL3682278 | 0.71 | CYP1A2 (0.47) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6158488-A | Rubber composition containing modified carbon black and article having component thereof | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 2000-12-12 | — | — | US | disclosed |
| US-6090880-A | ELASTOMER(S) INCLUDING A TIN OR SILICON MODIFIED ELASTOMER, MODIFIED CARBON BLACK AND SILICA COUPLER. | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 2000-07-18 | — | — | US | disclosed |