⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22147821 | 0.93 | CA1 (0.41) | — | |
| SCHEMBL1780482 | 0.86 | — | — | |
| SCHEMBL19318481 | 0.86 | — | — | |
| SCHEMBL6605109 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL2518609 | 0.84 | — | — | |
| SCHEMBL18656838 | 0.74 | — | — | |
| SCHEMBL16657578 | 0.74 | — | — | |
| SCHEMBL218415 | 0.74 | — | — | |
| SCHEMBL7422156 | 0.74 | — | — | |
| SCHEMBL7422163 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220213081-A1 | GEM-DISUBSTITUTED PYRROLIDINES, PIPERAZINES, AND DIAZEPANES, AND COMPOSITIONS AND METHODS OF MAKING THE SAME | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2022-07-07 | — | — | US | disclosed |
| US-11214568-B2 | Gem-disubstituted pyrrolidines, piperazines, and diazepanes, and compositions and methods of making the same | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2022-01-04 | — | — | US | disclosed |
| US-20200199114-A1 | GEM-DISUBSTITUTED PYRROLIDINES, PIPERAZINES, AND DIAZEPANES, AND COMPOSITIONS AND METHODS OF MAKING THE SAME | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2020-06-25 | — | — | US | disclosed |
| US-9145399-B2 | Substituted bicyclic triazole derivatives as gamma secretase modulators | Janssen Pharmaceuticals, Inc. (US) | 2015-09-29 | — | — | US | disclosed |
| US-8946266-B2 | Substituted triazole and imidazole derivatives as gamma secretase modulators | Janssen Pharmaceuticals, Inc. (US) | 2015-02-03 | — | — | US | disclosed |
| US-20120295901-A1 | NOVEL SUBSTITUTED BICYCLIC TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS | CELLZOME LIMITED (GB) | 2012-11-22 | — | — | US | disclosed |
| US-20120135981-A1 | NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS | CELLZOME LIMITED (GB) | 2012-05-31 | — | — | US | disclosed |
| EP-1713781-A1 | QUINAZOLINE DERIVATIVES | AstraZeneca AB (SE) | 2006-10-25 | — | — | EP | disclosed |
| WO-2005075439-A1 | QUINAZOLINE DERIVATIVES | ASTRAZENECA AB (SE) | 2005-08-18 | — | — | WO | disclosed |