⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6044534 | 0.76 | HCAR3 (0.35) | — | |
| SCHEMBL6043860 | 0.73 | — | — | |
| SCHEMBL6044683 | 0.71 | HCAR3 (0.36) | — | |
| SCHEMBL6044124 | 0.70 | KDM4E (0.34) | — | |
| SCHEMBL6044841 | 0.69 | HCAR3 (0.38) | — | |
| SCHEMBL6044422 | 0.67 | HCAR3 (0.40) | — | |
| SCHEMBL141037 | 0.62 | CYP1A2 (0.40) | — | |
| Fluoride SCHEMBL2393600 | 0.60 | CYP1A2 (0.38) | — | |
| Hydrochloric Acid SCHEMBL4414501 | 0.60 | CYP1A2 (0.38) | — | |
| Hydrochloric Acid SCHEMBL7881715 | 0.60 | CYP1A2 (0.38) | — |
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-20060122240-A1 | Benzotriazoles and methods of prophylaxis or treatment of metabolic-related disorders thereof | ARENA PHARMACEUTICALS, INC. (US) | 2006-06-08 | — | — | US | disclosed |