⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20649085 | 0.94 | — | — | |
| SCHEMBL20649141 | 0.94 | — | — | |
| SCHEMBL20649219 | 0.94 | — | — | |
| SCHEMBL20649015 | 0.92 | — | — | |
| SCHEMBL20649034 | 0.91 | — | — | |
| SCHEMBL20648988 | 0.90 | — | — | |
| SCHEMBL20649309 | 0.90 | TTK (0.30) | — | |
| SCHEMBL20649393 | 0.89 | — | — | |
| SCHEMBL20649094 | 0.88 | — | — | |
| SCHEMBL20649171 | 0.86 | CDK4 (0.32) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019011715-A1 | PYRAZOLO-QUINAZOLINE DERIVATIVES AS CHOLINE KINASE INHIBITORS | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2019-01-17 | — | — | WO | disclosed |