⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31437782 | 0.84 | KDM4E (0.35) | — | |
| SCHEMBL31437970 | 0.84 | KDM4E (0.35) | — | |
| SCHEMBL31437937 | 0.77 | — | — | |
| SCHEMBL31437787 | 0.74 | PIM1 (0.40) | — | |
| SCHEMBL31437765 | 0.72 | DHODH (0.31) | — | |
| SCHEMBL31437795 | 0.71 | GPR119 (0.43) | — | |
| SCHEMBL31437882 | 0.70 | AURKA (0.31) | — | |
| SCHEMBL31437893 | 0.67 | — | — | |
| SCHEMBL31437922 | 0.64 | — | — | |
| SCHEMBL31437789 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2025011533-A1 | CARBOXYLIC ACID COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海宇道生物技术有限公司 | 2025-01-16 | — | — | WO | disclosed |