⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9575669 | 0.89 | HCAR2 (0.36) | — | |
| SCHEMBL4312022 | 0.89 | HCAR2 (0.36) | — | |
| SCHEMBL4312008 | 0.89 | HCAR2 (0.36) | — | |
| SCHEMBL7096197 | 0.84 | HCAR2 (0.46) | — | |
| SCHEMBL758924 | 0.84 | — | — | |
| SCHEMBL7096200 | 0.84 | HCAR2 (0.46) | — | |
| SCHEMBL2672112 | 0.84 | — | — | |
| SCHEMBL23149457 | 0.83 | — | — | |
| SCHEMBL21647355 | 0.83 | — | — | |
| SCHEMBL1414580 | 0.80 | ALDH1A1 (0.31) | — |
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-0473235-A1 | Organosilane modified aqueous emulsions of film-forming vinyl polymers and heat resistant protective coatings therefrom | Akzo Nobel N.V. (NL) | 1992-03-04 | — | — | EP | disclosed |