⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9823955 | 0.79 | — | — | |
| SCHEMBL8052676 | 0.74 | — | — | |
| SCHEMBL5137899 | 0.74 | — | — | |
| SCHEMBL6438961 | 0.72 | — | — | |
| SCHEMBL9051532 | 0.71 | — | — | |
| SCHEMBL623468 | 0.69 | — | — | |
| SCHEMBL10678894 | 0.67 | — | — | |
| SCHEMBL9770771 | 0.67 | TSHR (0.32) | — | |
| SCHEMBL9054522 | 0.67 | — | — | |
| SCHEMBL6387768 | 0.66 | PTPRA (0.31) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150351401-A1 | SUBSTITUTED [1,2,4]TRIAZOLE AND IMIDAZOLE COMPOUNDS | BASF SE (DE) | 2015-12-10 | — | — | US | disclosed |
| EP-2935225-A1 | SUBSTITUTED [1,2,4]TRIAZOLE AND IMIDAZOLE COMPOUNDS | BASF SE (DE) | 2015-10-28 | — | — | EP | disclosed |
| WO-2014095655-A1 | SUBSTITUTED [1,2,4]TRIAZOLE AND IMIDAZOLE COMPOUNDS | BASF SE (DE) | 2014-06-26 | — | — | WO | disclosed |
| EP-2746259-A1 | Substituted [1,2,4]triazole and imidazole compounds | BASF SE (DE) | 2014-06-25 | — | — | EP | disclosed |
| EP-2746260-A1 | Substituted [1,2,4]triazole and imidazole compounds | BASF SE (DE) | 2014-06-25 | — | — | EP | disclosed |
| WO-1996036634-A1 | OXIRANYL-HYDROXYETHYL TRIAZOLES | BAYER AKTIENGESELLSCHAFT (DE) | 1996-11-21 | — | — | WO | disclosed |