⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19640243 | 0.82 | ALDH1A1 (0.31) | — | |
| SCHEMBL19640266 | 0.81 | ALDH1A1 (0.32) | — | |
| SCHEMBL4970262 | 0.75 | CYP2C19 (0.40) | — | |
| SCHEMBL19640282 | 0.72 | TSHR (0.31) | — | |
| SCHEMBL8580369 | 0.69 | — | — | |
| SCHEMBL1473802 | 0.68 | ALDH1A1 (0.43) | — | |
| SCHEMBL29211227 | 0.68 | CYP2C19 (0.38) | — | |
| SCHEMBL11575851 | 0.68 | — | — | |
| SCHEMBL17633760 | 0.67 | — | — | |
| SCHEMBL17670516 | 0.67 | TSHR (0.58) | — |
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-10246581-B2 | Rubber compositions containing whey protein | BRIDGESTONE AMERICAS TIRE OPERATIONS, LLC (US) | 2019-04-02 | — | — | US | disclosed |
| US-20170342253-A1 | RUBBER COMPOSITIONS CONTAINING WHEY PROTEIN | BRIDGESTONE AMERICAS TIRE OPERATIONS, LLC | 2017-11-30 | — | — | US | disclosed |