⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19640249 | 0.82 | — | — | |
| SCHEMBL19640260 | 0.82 | — | — | |
| SCHEMBL3912041 | 0.77 | GAA (0.50) | — | |
| SCHEMBL3917953 | 0.75 | TSHR (0.40) | — | |
| SCHEMBL19640242 | 0.72 | — | — | |
| SCHEMBL19640280 | 0.70 | — | — | |
| SCHEMBL28861420 | 0.70 | FFAR3 (0.36) | — | |
| SCHEMBL28160976 | 0.70 | ALDH1A1 (0.36) | — | |
| SCHEMBL27660613 | 0.69 | TSHR (0.41) | — | |
| SCHEMBL6579944 | 0.69 | — | — |
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 |