⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3203936 | 0.73 | — | — | |
| SCHEMBL3203938 | 0.73 | — | — | |
| SCHEMBL18572158 | 0.67 | — | — | |
| SCHEMBL9381768 | 0.64 | — | — | |
| SCHEMBL9936884 | 0.63 | — | — | |
| SCHEMBL1266263 | 0.63 | PARP1 (0.34) | — | |
| SCHEMBL8129347 | 0.63 | — | — | |
| SCHEMBL29899204 | 0.63 | PARP1 (0.34) | — | |
| SCHEMBL3670803 | 0.62 | HCAR2 (0.31) | — | |
| Hydrochloric Acid SCHEMBL28893998 | 0.61 | PARP1 (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8829011-B2 | 2-aminopyrimidine compounds as serotonin receptor modulators | JANSSEN PHARMACEUTICA NV (BE) | 2014-09-09 | — | — | US | disclosed |
| US-8618288-B2 | Pyrimidine compounds as serotonin receptor modulators | JANSSEN PHARMACEUTICA NV (BE) | 2013-12-31 | — | — | US | disclosed |
| US-20110207717-A1 | 2-AMINOPYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2011-08-25 | — | — | US | disclosed |
| US-20100016281-A1 | PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2010-01-21 | — | — | US | disclosed |
| US-7598255-B2 | Pyrimidine compounds as serotonin receptor modulators | JANSSEN PHARMACEUTICA NV (BE) | 2009-10-06 | — | — | US | disclosed |
| US-20070032481-A1 | PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2007-02-08 | — | — | US | disclosed |