⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24929582 | 0.91 | KMO (0.33) | — | |
| SCHEMBL30153205 | 0.85 | ACLY (0.35) | — | |
| SCHEMBL24928721 | 0.85 | ACLY (0.35) | — | |
| SCHEMBL24928948 | 0.82 | NR1H4 (0.30) | — | |
| SCHEMBL30153331 | 0.79 | ACLY (0.38) | — | |
| SCHEMBL30845568 | 0.79 | ACLY (0.38) | — | |
| SCHEMBL22647920 | 0.79 | RORC (0.33) | — | |
| SCHEMBL24928681 | 0.79 | PDE4A (0.39) | — | |
| SCHEMBL22647948 | 0.78 | NTRK1 (0.36) | — | |
| SCHEMBL24928715 | 0.76 | ACLY (0.37) | — |
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-2023007188-A1 | PHENYL-SULFAMOYL-BENZOIC ACID DERIVATIVES AS ERAP1- MODULATORS | Grey Wolf Therapeutics Limited (GB) | 2023-02-02 | — | — | WO | disclosed |