⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2482839 | 0.87 | ALDH1A1 (0.35) | — | |
| SCHEMBL3290563 | 0.86 | ALDH1A1 (0.34) | — | |
| SCHEMBL28426704 | 0.75 | LMNA (0.32) | — | |
| SCHEMBL104422 | 0.74 | LMNA (0.31) | — | |
| SCHEMBL104905 | 0.74 | LMNA (0.31) | — | |
| SCHEMBL6237422 | 0.67 | — | — | |
| Acetoacetic Acid SCHEMBL28710078 | 0.67 | CES2 (0.30) | — | |
| SCHEMBL14693824 | 0.66 | ALDH1A1 (0.39) | — | |
| SCHEMBL2479263 | 0.65 | LMNA (0.32) | — | |
| SCHEMBL105788 | 0.64 | ALDH1A1 (0.38) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3733756-A1 | TREAD RUBBER COMPOSITION FOR STUDLESS WINTER TIRES | SUMITOMO RUBBER INDUSTRIES, LTD. (JP) | 2020-11-04 | — | — | EP | disclosed |
| CN-107428212-B | Tyre for vehicle wheels | 株式会社普利司通 | 2020-03-31 | — | — | CN | disclosed |
| CN-110540687-A | Rubber composition for tire and pneumatic tire | SUMITOMO RUBBER IND | 2019-12-06 | — | — | CN | disclosed |
| EP-2377693-A1 | PNEUMATIC TIRE | Bridgestone Corporation (JP) | 2011-10-19 | — | — | EP | disclosed |