⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28613772 | 0.90 | KDM4E (0.30) | — | |
| SCHEMBL28024842 | 0.81 | ASGR1 (0.33) | — | |
| SCHEMBL1770679 | 0.81 | — | — | |
| SCHEMBL3294635 | 0.81 | — | — | |
| SCHEMBL6119041 | 0.78 | KDM4E (0.31) | — | |
| SCHEMBL31447094 | 0.75 | — | — | |
| SCHEMBL14829034 | 0.74 | ASGR1 (0.31) | — | |
| SCHEMBL9264114 | 0.73 | KDM4E (0.38) | — | |
| SCHEMBL25075599 | 0.71 | HDAC6 (0.33) | — | |
| SCHEMBL22982541 | 0.70 | — | — |
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-111848577-B | N- (hetero) aryl-substituted heterocyclic derivatives useful in the treatment of diseases or conditions associated with the central nervous system | 克罗诺斯治疗有限公司 | 2023-09-01 | — | — | CN | disclosed |