⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL642780 | 1.00 | — | — | |
| SCHEMBL283407 | 0.76 | — | — | |
| SCHEMBL283408 | 0.76 | — | — | |
| SCHEMBL515078 | 0.76 | — | — | |
| SCHEMBL19262024 | 0.71 | — | — | |
| SCHEMBL790370 | 0.71 | — | — | |
| SCHEMBL470639 | 0.71 | — | — | |
| SCHEMBL470592 | 0.71 | — | — | |
| SCHEMBL873627 | 0.71 | — | — | |
| SCHEMBL336281 | 0.71 | ALDH1A1 (0.46) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9487533-B2 | Phosphoinositide 3-kinase inhibitor compounds and methods of use | GENENTECH, INC. (US) | 2016-11-08 | — | — | US | disclosed |
| EP-2114950-B1 | PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE | GENENTECH INC (US) | 2016-03-09 | — | — | EP | disclosed |
| US-20120214788-A1 | HETEROARYL-SUBSTITUTED PIPERIDINES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-08-23 | — | — | US | disclosed |
| US-8119663-B2 | Heteroaryl-substituted piperidines | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-02-21 | — | — | US | disclosed |
| EP-2227466-B1 | HETEROARYL-SUBSTITUTED PIPERIDINES | BAYER SCHERING PHARMA AG (DE) | 2011-04-20 | — | — | EP | disclosed |
| EP-2227466-A2 | HETEROARYL-SUBSTITUTED PIPERIDINES | Bayer Schering Pharma Aktiengesellschaft (DE) | 2010-09-15 | — | — | EP | disclosed |
| US-20090306139-A1 | HETEROARYL-SUBSTITUTED PIPERIDINES | BAYER HEALTHCARE AG (DE) | 2009-12-10 | — | — | US | disclosed |
| EP-2114950-A2 | PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE | Genentech, Inc. (US) | 2009-11-11 | — | — | EP | disclosed |
| WO-2009068214-A2 | HETEROARYL-SUBSTITUTED PIPERIDINES | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2009-06-04 | — | — | WO | disclosed |
| US-20080269210-A1 | PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2008-10-30 | — | — | US | disclosed |
| WO-2008073785-A2 | PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE | GENENTECH, INC. (US) | 2008-06-19 | — | — | WO | disclosed |