⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL723253 | 0.78 | PLA2G1B (0.31) | — | |
| SCHEMBL721239 | 0.72 | DNM1 (0.40) | — | |
| SCHEMBL8357038 | 0.70 | — | — | |
| SCHEMBL14752557 | 0.67 | — | — | |
| SCHEMBL1099979 | 0.66 | MAPK1 (0.39) | — | |
| SCHEMBL2566590 | 0.66 | MAPK1 (0.39) | — | |
| SCHEMBL16053553 | 0.64 | MAPK1 (0.37) | — | |
| SCHEMBL2966567 | 0.64 | PIK3CD (0.50) | — | |
| SCHEMBL20212033 | 0.64 | TSHR (0.46) | — | |
| SCHEMBL13309417 | 0.63 | PLA2G1B (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1183772-A | Substituted 2-phenylpyridines | BASF AG (DE) | 1998-06-03 | — | — | CN | disclosed |
| EP-0479055-A1 | Benzaldoximether derivatives | BASF Aktiengesellschaft (DE) | 1992-04-08 | — | — | EP | disclosed |