⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4831 | 0.70 | — | — | |
| SCHEMBL16414730 | 0.70 | — | — | |
| SCHEMBL3586187 | 0.67 | — | — | |
| Trimethylammonium SCHEMBL7036647 | 0.64 | — | — | |
| SCHEMBL6351501 | 0.64 | — | — | |
| SCHEMBL3569572 | 0.64 | — | — | |
| SCHEMBL445008 | 0.64 | — | — | |
| SCHEMBL27657265 | 0.64 | — | — | |
| SCHEMBL27862288 | 0.64 | — | — | |
| SCHEMBL6686928 | 0.64 | — | — |
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-2004060367-A1 | IMIDAZOLE AND TRIAZOLE DERIVATIVES USEFUL AS SELECTIVE COX-1 INHIBITORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2004-07-22 | — | — | WO | disclosed |