⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23077798 | 0.74 | — | — | |
| Dimethylamine SCHEMBL28552842 | 0.71 | — | — | |
| SCHEMBL22693852 | 0.70 | — | — | |
| SCHEMBL10662512 | 0.70 | — | — | |
| SCHEMBL16648065 | 0.70 | — | — | |
| SCHEMBL21737650 | 0.65 | — | — | |
| SCHEMBL19489132 | 0.65 | — | — | |
| Fluoromethane SCHEMBL8981607 | 0.60 | — | — | |
| Dimethylamine SCHEMBL16678367 | 0.60 | KDM4E (0.38) | — | |
| Dimethylamine SCHEMBL6866705 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105272930-B | Substituted urea derivative and its application in drug | 广东东阳光药业有限公司 | 2018-07-13 | — | — | CN | disclosed |
| CN-105272930-A | Substituted urea derivatives and uses thereof in pharmaceuticals | GUANGDONG HEC PHARMACEUTICAL | 2016-01-27 | — | — | CN | disclosed |