⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10778511 | 0.79 | CA12 (0.36) | — | |
| SCHEMBL4438789 | 0.78 | — | — | |
| SCHEMBL1163352 | 0.77 | — | — | |
| SCHEMBL10782198 | 0.75 | CA1 (0.40) | — | |
| SCHEMBL4157715 | 0.74 | LMNA (0.42) | — | |
| Hydrochloric Acid SCHEMBL11853604 | 0.74 | — | — | |
| SCHEMBL4655048 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL4525171 | 0.74 | — | — | |
| SCHEMBL6222518 | 0.72 | — | — | |
| SCHEMBL27323173 | 0.72 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104254533-A | Thiazolyl- or thiadiazolyl-substituted pyridyl compounds useful as kinase inhibitors | BRISTOL MYERS SQUIBB CO | 2014-12-31 | — | — | CN | disclosed |
| CN-104169275-A | Triazolyl-substituted pyridyl compounds useful as kinase inhibitors | BRISTOL MYERS SQUIBB CO | 2014-11-26 | — | — | CN | disclosed |
| CN-104159896-A | Heterocyclic-substituted pyridyl compounds useful as kinase inhibitors | BRISTOL MYERS SQUIBB CO | 2014-11-19 | — | — | CN | disclosed |
| US-5234897-A | Defoliants;desiccants; selectively combating dicotyledon weeds in monocotyledon crops | BAYER AKTIENGESELLSCHAFT (DE) | 1993-08-10 | — | — | US | disclosed |
| EP-0126326-B1 | PROCESS FOR PREPARING 1,2,4-TRIAZOLE-3-CARBOXAMIDES | UBE INDUSTRIES, LTD. (JP) | 1987-08-05 | — | — | EP | disclosed |
| US-4578479-A | Process for preparing 1,2,4-triazole-3-carboxamides | UBE INDUSTRIES, LTD. (JP) | 1986-03-25 | — | — | US | disclosed |
| EP-0126326-A1 | Process for preparing 1,2,4-triazole-3-carboxamides | UBE INDUSTRIES, LTD. (JP) | 1984-11-28 | — | — | EP | disclosed |