⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30282441 | 1.00 | — | — | |
| SCHEMBL30307739 | 0.83 | CA2 (0.38) | — | |
| SCHEMBL25218748 | 0.83 | CA2 (0.38) | — | |
| SCHEMBL30282397 | 0.78 | — | — | |
| SCHEMBL28956074 | 0.78 | — | — | |
| SCHEMBL14677129 | 0.72 | CYP19A1 (0.39) | — | |
| SCHEMBL30307646 | 0.66 | IDH1 (0.35) | — | |
| SCHEMBL28956111 | 0.66 | IDH1 (0.35) | — | |
| SCHEMBL11960338 | 0.63 | CYP3A4 (0.33) | — | |
| SCHEMBL14676435 | 0.62 | USP2 (0.34) | — |
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 |