⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19836482 | 0.70 | — | — | |
| SCHEMBL21737563 | 0.69 | — | — | |
| SCHEMBL8220159 | 0.68 | — | — | |
| SCHEMBL19439675 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL8223189 | 0.67 | CA14 (0.35) | — | |
| SCHEMBL4198326 | 0.61 | — | — | |
| SCHEMBL20377718 | 0.59 | SLC7A5 (0.36) | — | |
| Iodide SCHEMBL7429675 | 0.59 | — | — | |
| SCHEMBL14534555 | 0.57 | — | — | |
| SCHEMBL22649335 | 0.57 | — | — |
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-4055572-A | Process for the production of 3-hydroxy-1,2,4-triazole derivatives | CIBA-GEIGY CORPORATION (US) | 1977-10-25 | — | — | US | disclosed |