⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18355357 | 0.74 | CA12 (0.33) | — | |
| SCHEMBL16052704 | 0.70 | LPL (0.42) | — | |
| SCHEMBL30518 | 0.69 | PGR (0.40) | — | |
| SCHEMBL12745953 | 0.69 | — | — | |
| SCHEMBL12254118 | 0.69 | MEN1 (0.33) | — | |
| SCHEMBL22498139 | 0.68 | LPL (0.44) | — | |
| SCHEMBL17570170 | 0.67 | ACHE (0.33) | — | |
| SCHEMBL6764219 | 0.66 | EPAS1 (0.42) | — | |
| SCHEMBL21577486 | 0.66 | CYP4F2 (0.30) | — | |
| SCHEMBL21577485 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170334919-A1 | 2-((4-AMINO-3-(3-FLUORO-5-HYDROXYPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-1 -YL)METHYL)-3-(2-(TRIFLUORO-MET HYL)BENZYL)QUINAZOLIN-4(3H)-ONE DERIVATIVES AND THEIR USE AS PHOSPHOINOSITIDE 3-KINASE INHIBITORS | RESPIVERT LTD. (GB) | 2017-11-23 | — | — | US | disclosed |