⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21710617 | 0.78 | — | — | |
| SCHEMBL2366051 | 0.74 | TDP1 (0.41) | — | |
| SCHEMBL9623249 | 0.72 | LMNA (0.33) | — | |
| SCHEMBL10611742 | 0.70 | TDP1 (0.33) | — | |
| SCHEMBL8972411 | 0.65 | CRHBP (0.31) | — | |
| SCHEMBL1753082 | 0.65 | CASP1 (0.50) | — | |
| SCHEMBL16248193 | 0.64 | LMNA (0.47) | — | |
| SCHEMBL9258876 | 0.63 | LMNA (0.32) | — | |
| SCHEMBL9321423 | 0.63 | CYP3A4 (0.53) | — | |
| SCHEMBL6222738 | 0.63 | KEAP1 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5475112-A | Reducing a substituted trichloromethylpyridine derivative in presence of a proton donor and solvent | ISHIHARA SANGYO KAISHA LTD. (JP) | 1995-12-12 | — | — | US | disclosed |
| EP-0512436-A1 | Method for producing substituted pyridine derivatives | ISHIHARA SANGYO KAISHA, LTD. (JP) | 1992-11-11 | — | — | EP | disclosed |