⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28956074 | 1.00 | — | — | |
| SCHEMBL28956162 | 0.78 | CA2 (0.44) | — | |
| SCHEMBL30282364 | 0.78 | CA2 (0.44) | — | |
| SCHEMBL30282441 | 0.78 | — | — | |
| SCHEMBL28956019 | 0.78 | — | — | |
| SCHEMBL25207482 | 0.76 | KMT2A (0.30) | — | |
| SCHEMBL31708045 | 0.72 | CYP2C19 (0.35) | — | |
| SCHEMBL25217067 | 0.72 | CYP2C19 (0.35) | — | |
| SCHEMBL28964988 | 0.70 | KMO (0.36) | — | |
| SCHEMBL30282551 | 0.70 | KMO (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4143179-A1 | AZETIDIN-3-YLMETHANOL DERIVATIVES AS CCR6 RECEPTOR MODULATORS | Idorsia Pharmaceuticals Ltd (CH) | 2023-03-08 | — | — | EP | disclosed |
| 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 |