⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27868736 | 0.72 | — | — | |
| SCHEMBL10806807 | 0.71 | — | — | |
| SCHEMBL28067376 | 0.71 | — | — | |
| SCHEMBL27682783 | 0.70 | THRB (0.31) | — | |
| SCHEMBL28064016 | 0.68 | — | — | |
| SCHEMBL28007181 | 0.67 | — | — | |
| SCHEMBL28123081 | 0.63 | — | — | |
| SCHEMBL30945287 | 0.62 | — | — | |
| SCHEMBL17065489 | 0.61 | KMT2A (0.32) | — | |
| SCHEMBL27703193 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103958477-B | Benzamide derivatives and uses thereof | (株)威沃尊 | 2017-03-29 | — | — | CN | disclosed |
| CN-102947000-B | Carboxylation catalysts | UNIV COURT OF THE UNIVERSITY OF ST ANDREW | 2015-06-17 | — | — | CN | disclosed |
| CN-103958477-A | Novel benzamide derivatives and uses thereof | VIVOZON INC | 2014-07-30 | — | — | CN | disclosed |
| CN-102947000-A | Carboxylation catalysts | UNIV ST ANDREWS | 2013-02-27 | — | — | CN | disclosed |