⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21720480 | 0.75 | — | — | |
| SCHEMBL17739745 | 0.70 | — | — | |
| SCHEMBL9963875 | 0.70 | — | — | |
| SCHEMBL2683239 | 0.70 | — | — | |
| SCHEMBL77476 | 0.70 | ALDH1A1 (0.36) | — | |
| SCHEMBL21720183 | 0.70 | — | — | |
| SCHEMBL21448772 | 0.67 | PTGS2 (0.45) | — | |
| SCHEMBL21366181 | 0.67 | — | — | |
| SCHEMBL22545819 | 0.67 | — | — | |
| SCHEMBL4715805 | 0.65 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005026139-A1 | NEMATICIDAL DIFLUOROALKENES | BAYER CROPSCIENCE AG (DE) | 2005-03-24 | — | — | WO | disclosed |
| CN-1143962-A | Triazole compound and processes for preparation thereof | YUHAN CORP (KR) | 1997-02-26 | — | — | CN | disclosed |
| EP-0751943-A1 | TRIAZOLE COMPOUNDS AND PROCESSES FOR THE PREPARATION THEREOF | Yuhan Corporation (KR) | 1997-01-08 | — | — | EP | disclosed |
| WO-1995025107-A1 | TRIAZOLE COMPOUNDS AND PROCESSES FOR THE PREPARATION THEREOF | YUHAN CORPORATION (KR) | 1995-09-21 | — | — | WO | disclosed |