⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24365608 | 1.00 | — | — | |
| SCHEMBL24363860 | 1.00 | — | — | |
| SCHEMBL25321659 | 0.97 | — | — | |
| SCHEMBL29081977 | 0.89 | CYP2D6 (0.32) | — | |
| SCHEMBL29324035 | 0.89 | CYP2D6 (0.32) | — | |
| SCHEMBL24365460 | 0.89 | CYP2D6 (0.32) | — | |
| SCHEMBL31145112 | 0.86 | ESR2 (0.30) | — | |
| SCHEMBL24364670 | 0.86 | ESR2 (0.30) | — | |
| SCHEMBL24367120 | 0.84 | — | — | |
| SCHEMBL25319916 | 0.83 | KDM1A (0.36) | — |
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-116568677-A | piperidin-1-yl-N-pyridin-3-yl-2-oxoacetamide derivatives useful for the treatment of MTAP deficiency and/or MTA accumulating cancers | 探戈医药股份有限公司 | 2023-08-08 | — | — | CN | disclosed |