⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14678811 | 0.69 | — | — | |
| SCHEMBL16274543 | 0.65 | — | — | |
| SCHEMBL14452825 | 0.65 | — | — | |
| SCHEMBL4743726 | 0.65 | — | — | |
| SCHEMBL824206 | 0.65 | — | — | |
| SCHEMBL14026153 | 0.65 | — | — | |
| SCHEMBL13271065 | 0.65 | — | — | |
| SCHEMBL7294256 | 0.65 | — | — | |
| SCHEMBL17082629 | 0.65 | — | — | |
| SCHEMBL18587945 | 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 |
|---|---|---|---|---|---|---|---|
| EP-1765789-B1 | N-(1-(1-BENZYL-4-PHENYL-1H-IMIDAZOL-2-YL)-2,2-DIMETHYLPROPYL)BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS KINESIN SPINDLE PROTEIN (KSP) INHIBITORS FOR THE TREATMENT OF CANCER | NOVARTIS AG (CH) | 2013-02-27 | — | — | EP | claimed |
| EP-2091926-B1 | SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS | NOVARTIS AG (CH) | 2015-10-21 | — | — | EP | disclosed |
| EP-2091926-A1 | SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS | Novartis AG (CH) | 2009-08-26 | — | — | EP | disclosed |
| WO-2008063912-A1 | SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS | NOVARTIS AG (CH) | 2008-05-29 | — | — | WO | disclosed |