⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL34048 | 0.97 | — | — | |
| SCHEMBL29353771 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL913230 | 0.94 | NOS3 (0.52) | — | |
| Hydrochloric Acid SCHEMBL30136813 | 0.94 | NOS3 (0.52) | — | |
| Hydrochloric Acid SCHEMBL7654260 | 0.94 | — | — | |
| Iodomethane SCHEMBL28605886 | 0.89 | NOS3 (0.54) | — | |
| SCHEMBL8444544 | 0.83 | MAP4K4 (0.62) | — | |
| 2-Aminopyridine SCHEMBL6669260 | 0.81 | NOS3 (0.70) | — | |
| Pyrimidine SCHEMBL11055821 | 0.81 | HSP90AA1 (0.48) | — | |
| SCHEMBL8638071 | 0.81 | NOS3 (0.41) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104910148-B | Aminotriazole(ATA) and pyridine and its as kinase inhibitor purposes | 西格诺药品有限公司 | 2017-06-27 | — | — | CN | disclosed |
| CN-104910148-A | Aminotriazolopyridines and use thereof as kinase inhibitors | SIGNAL PHARM LLC | 2015-09-16 | — | — | CN | disclosed |
| CN-102203093-B | Aminotriazolopyridines and their use as kinase inhibitors | SIGNAL PHARM LLC | 2015-05-13 | — | — | CN | disclosed |