⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18920776 | 1.00 | — | — | |
| SCHEMBL92800 | 1.00 | — | — | |
| SCHEMBL6955536 | 0.76 | — | — | |
| SCHEMBL18071027 | 0.70 | — | — | |
| SCHEMBL24718815 | 0.67 | — | — | |
| SCHEMBL5040091 | 0.67 | — | — | |
| SCHEMBL14827916 | 0.67 | — | — | |
| SCHEMBL8932432 | 0.67 | — | — | |
| SCHEMBL523027 | 0.67 | — | — | |
| SCHEMBL523028 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8129358-B2 | Substituted pyrazole and triazole compounds as KSP inhibitors | NOVARTIS AG (CH) | 2012-03-06 | — | — | US | disclosed |
| US-7820646-B2 | Cyclized derivatives as Eg-5 inhibitors | NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) | 2010-10-26 | — | — | US | disclosed |
| US-20100034813-A1 | SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS | NOVARTIS AG (CH) | 2010-02-11 | — | — | US | disclosed |