⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3013035 | 0.79 | MALT1 (0.33) | — | |
| SCHEMBL12159916 | 0.75 | GABRP (0.37) | — | |
| SCHEMBL3008881 | 0.74 | RIPK1 (0.33) | — | |
| SCHEMBL5806556 | 0.73 | MLYCD (0.34) | — | |
| SCHEMBL3010551 | 0.71 | TP53 (0.44) | — | |
| SCHEMBL5752399 | 0.71 | — | — | |
| SCHEMBL22290833 | 0.70 | GABRG2 (0.41) | — | |
| SCHEMBL3001263 | 0.70 | CNR2 (0.38) | — | |
| SCHEMBL3004699 | 0.70 | — | — | |
| SCHEMBL22372214 | 0.70 | TRPM8 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100197752-A1 | UROCANIC ACID DERIVATIVES USEFUL FOR THE TREATMENT OF IMMUNE-RELATED AND INFLAMMATORY DISEASES | VALLETTA HEALTH IP EE B.V. (NL) | 2010-08-05 | — | — | US | disclosed |