⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6044979 | 0.76 | HCAR3 (0.33) | — | |
| SCHEMBL6043601 | 0.76 | KDM4C (0.34) | — | |
| SCHEMBL6043987 | 0.73 | — | — | |
| SCHEMBL6044212 | 0.71 | KDM4C (0.34) | — | |
| SCHEMBL6044841 | 0.69 | HCAR3 (0.38) | — | |
| SCHEMBL6685411 | 0.69 | KDM4C (0.39) | — | |
| SCHEMBL6044422 | 0.67 | HCAR3 (0.40) | — | |
| SCHEMBL6044146 | 0.66 | HCAR3 (0.42) | — | |
| SCHEMBL12590819 | 0.64 | HTT (0.36) | — | |
| SCHEMBL23130843 | 0.64 | NPC1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20060122240-A1 | Benzotriazoles and methods of prophylaxis or treatment of metabolic-related disorders thereof | ARENA PHARMACEUTICALS, INC. (US) | 2006-06-08 | — | — | US | disclosed |
| WO-2004041274-A1 | BENZOTRIAZOLES AND METHODS OF PROPHYLAXIS OR TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF | ARENA PHARMACEUTICALS, INC. (US) | 2004-05-21 | — | — | WO | disclosed |