⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10267731 | 0.78 | — | — | |
| SCHEMBL12488906 | 0.78 | — | — | |
| SCHEMBL156265 | 0.78 | — | — | |
| SCHEMBL19186984 | 0.78 | — | — | |
| SCHEMBL879287 | 0.78 | — | — | |
| SCHEMBL972239 | 0.78 | — | — | |
| SCHEMBL29384619 | 0.76 | CA9 (0.93) | — | |
| Water SCHEMBL21493261 | 0.76 | CA9 (0.93) | — | |
| Water SCHEMBL28558511 | 0.73 | CA9 (0.87) | — | |
| SCHEMBL23272992 | 0.71 | CA9 (0.81) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2970293-B1 | 2-((4-AMINO-3-(3-FLUORO-5-HYDROXYPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-1-YL)METHYL)-3-(2-(TRIFLUOROMETHYL)BENZYL)QUINAZOLIN-4(3H)-ONE DERIVATIVES AND THEIR USE AS PHOSPHOINOSITIDE 3-KINASE INHIBITORS | RESPIVERT LTD (GB) | 2017-06-14 | — | — | EP | disclosed |
| CN-105829308-A | Isochromene derivatives as phosphoinositide 3-kinase inhibitors | 奇斯药制品公司 | 2016-08-03 | — | — | CN | disclosed |
| WO-2014140597-A1 | 2-((4-AMINO-3-(3-FLUORO-5-HYDROXYPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-1 -YL)METHYL)-3-(2-(TRIFLUOROMET HYL)BENZYL)QUINAZOLIN-4(3H)-ONE DERIVATIVES AND THEIR USE AS PHOSPHOINOSITIDE 3-KINASE INHIBITORS | RESPIVERT LIMITED (GB) | 2014-09-18 | — | — | WO | disclosed |
| WO-2013139697-A1 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | POLYPHOR AG (CH) | 2013-09-26 | — | — | WO | disclosed |
| US-20120322761-A1 | HETEROCYCLIC CETP INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2012-12-20 | — | — | US | disclosed |
| EP-1951673-B1 | HETEROCYCLIC CETP INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2012-09-05 | — | — | EP | disclosed |
| EP-1951690-B1 | HETEROCYCLIC CETP INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2012-03-28 | — | — | EP | disclosed |
| EP-2094643-B1 | N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES | BRISTOL MYERS SQUIBB CO (US) | 2012-02-29 | — | — | EP | disclosed |
| WO-2007062342-A1 | HETEROCYCLIC CETP INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-05-31 | — | — | WO | disclosed |