⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27454806 | 0.74 | CYP2D6 (0.32) | — | |
| SCHEMBL4249070 | 0.71 | — | — | |
| SCHEMBL19853421 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL6316477 | 0.69 | — | — | |
| SCHEMBL24163431 | 0.67 | — | — | |
| Dimethylamine SCHEMBL28393657 | 0.67 | CYP2D6 (0.44) | — | |
| SCHEMBL2102170 | 0.64 | — | — | |
| SCHEMBL8519691 | 0.64 | — | — | |
| SCHEMBL17995171 | 0.64 | — | — | |
| SCHEMBL22631890 | 0.63 | CYP2D6 (0.47) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1831198-B1 | PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS | ASTRAZENECA AB (SE) | 2009-04-08 | — | — | EP | disclosed |
| CN-101128454-A | Pyridine carboxamide derivatives for use as anticancer agents | ASTRAZENECA AB (SE) | 2008-02-20 | — | — | CN | disclosed |
| US-3941907-A | ORGANIC SULFATE OR SULFONATE SALT OF ALKYLENEDIAMINE | HENKEL & CIE G.M.B.H. (DT) | 1976-03-02 | — | — | US | disclosed |