⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19938124 | 0.69 | POLB (0.31) | — | |
| SCHEMBL3170 | 0.69 | FFAR3 (0.37) | — | |
| Ethane SCHEMBL908993 | 0.69 | AKR1C1 (0.32) | — | |
| SCHEMBL5873442 | 0.69 | AKR1C1 (0.34) | — | |
| SCHEMBL8618471 | 0.69 | GRIN1 (0.33) | — | |
| SCHEMBL8078206 | 0.68 | FFAR3 (0.36) | — | |
| SCHEMBL27953090 | 0.65 | HTT (0.34) | — | |
| SCHEMBL28078638 | 0.65 | AKR1C1 (0.32) | — | |
| SCHEMBL7757227 | 0.65 | GRIN1 (0.31) | — | |
| SCHEMBL561319 | 0.65 | GRIN2D (0.37) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2024360-B1 | SUBSTITUTED PYRAZOLOPYRIMIDINES | CEPHALON INC (US) | 2013-04-03 | — | — | EP | disclosed |
| US-8354414-B2 | Substituted bicyclic pyrimidines | CEPHALON, INC (US) | 2013-01-15 | — | — | US | disclosed |
| EP-2351751-A1 | Substituted pyrazolopyrimidines | CEPHALON, INC. (US) | 2011-08-03 | — | — | EP | disclosed |
| US-20110053920-A1 | SUBSTITUTED BICYCLIC PYRIMIDINES | CEPHALON, INC. (US) | 2011-03-03 | — | — | US | disclosed |
| US-7851468-B2 | Substituted pyrazolo[3,4-d]pyrimidines | CEPHALON, INC. (US) | 2010-12-14 | — | — | US | disclosed |
| EP-2024360-A2 | SUBSTITUTED PYRAZOLOPYRIMIDINES | Cephalon, Inc. (US) | 2009-02-18 | — | — | EP | disclosed |
| WO-2008063232-A2 | SUBSTITUTED PYRAZOLOPYRIMIDINES | CEPHALON, INC. (US) | 2008-05-29 | — | — | WO | disclosed |
| US-20070281949-A1 | Substituted pyrazolopyrimidines | CEPHALON, INC. (US) | 2007-12-06 | — | — | US | disclosed |