⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1274491 | 0.70 | — | — | |
| SCHEMBL28914312 | 0.65 | — | — | |
| SCHEMBL10922404 | 0.65 | — | — | |
| SCHEMBL2340182 | 0.65 | ADRB2 (0.45) | — | |
| SCHEMBL2880462 | 0.64 | — | — | |
| SCHEMBL11795121 | 0.64 | — | — | |
| SCHEMBL4769334 | 0.63 | — | — | |
| SCHEMBL11763361 | 0.62 | EPHX1 (0.43) | — | |
| SCHEMBL11551211 | 0.62 | — | — | |
| SCHEMBL31434855 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101316841-A | Arylmethylene urea derivative and use thereof | TORAY INDUSTRIES (JP) | 2008-12-03 | — | — | CN | disclosed |