⚠ 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 | |
|---|---|---|---|---|
| Methane SCHEMBL27690681 | 0.95 | KDM4E (0.46) | — | |
| Methane SCHEMBL28001221 | 0.95 | — | — | |
| SCHEMBL27337439 | 0.94 | KDM4E (0.56) | — | |
| SCHEMBL1562 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL4926226 | 0.89 | — | — | |
| Water SCHEMBL2714950 | 0.89 | — | — | |
| SCHEMBL29728146 | 0.89 | — | — | |
| SCHEMBL2723477 | 0.89 | KDM4E (0.50) | — | |
| Hydrochloric Acid SCHEMBL2125050 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL6618237 | 0.89 | — | — |
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 |