⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28955993 | 1.00 | — | — | |
| SCHEMBL25207482 | 0.77 | KMT2A (0.30) | — | |
| SCHEMBL11981574 | 0.70 | KMT2A (0.31) | — | |
| SCHEMBL25233915 | 0.68 | SMN1; SMN2 (0.50) | — | |
| SCHEMBL84119 | 0.65 | KDM4E (0.32) | — | |
| SCHEMBL7704073 | 0.64 | CA2 (0.56) | — | |
| SCHEMBL17816462 | 0.64 | CA2 (0.40) | — | |
| SCHEMBL25204669 | 0.64 | PDE2A (0.34) | — | |
| SCHEMBL30849517 | 0.63 | — | — | |
| SCHEMBL21718482 | 0.62 | CNR2 (0.32) | — |
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-115551841-A | Azetidin-3-ylcarbinol derivatives as modulators of the CCR6 receptor | 爱杜西亚药品有限公司 | 2022-12-30 | — | — | CN | disclosed |