⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL472712 | 0.84 | ALDH1A1 (0.39) | — | |
| SCHEMBL472709 | 0.84 | ALDH1A1 (0.39) | — | |
| Propene SCHEMBL8366294 | 0.77 | — | — | |
| Acrylic Acid SCHEMBL28772281 | 0.73 | LMNA (0.46) | — | |
| SCHEMBL11296884 | 0.70 | FFAR3 (0.31) | — | |
| SCHEMBL7185245 | 0.69 | ALDH1A1 (0.46) | — | |
| SCHEMBL5452287 | 0.69 | ALDH1A1 (0.46) | — | |
| SCHEMBL28758133 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL6552881 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL13387035 | 0.68 | TSHR (0.44) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0820478-B1 | WATERBORNE POLYMERS HAVING PENDANT ALLYL GROUPS | EASTMAN CHEM CO (US) | 1999-08-18 | — | — | EP | claimed |