⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9227806 | 0.75 | — | — | |
| SCHEMBL28427640 | 0.73 | — | — | |
| SCHEMBL10821941 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL26686894 | 0.72 | — | — | |
| SCHEMBL7762365 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL30532603 | 0.69 | — | — | |
| SCHEMBL28004615 | 0.69 | — | — | |
| SCHEMBL506448 | 0.69 | HSD17B10 (0.33) | — | |
| SCHEMBL8827572 | 0.67 | — | — | |
| SCHEMBL28006130 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0918758-A1 | PROCESS FOR PREPARING 1-SUBSTITUTED 4-CYANO-1,2,3-TRIAZOLES | Novartis AG (CH) | 1999-06-02 | — | — | EP | disclosed |
| WO-1998002423-A1 | PROCESS FOR PREPARING 1-SUBSTITUTED 4-CYANO-1,2,3-TRIAZOLES | NOVARTIS AG (CH) | 1998-01-22 | — | — | WO | disclosed |