⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10252220 | 0.82 | TDP1 (0.35) | — | |
| SCHEMBL2119144 | 0.75 | — | — | |
| SCHEMBL4289488 | 0.75 | TDP1 (0.31) | — | |
| SCHEMBL10813311 | 0.75 | PDE10A (0.34) | — | |
| SCHEMBL7325343 | 0.75 | LMNA (0.33) | — | |
| SCHEMBL10814439 | 0.71 | — | — | |
| SCHEMBL12462019 | 0.71 | — | — | |
| SCHEMBL29849046 | 0.71 | HTT (0.33) | — | |
| SCHEMBL10252579 | 0.71 | HTT (0.33) | — | |
| SCHEMBL7333666 | 0.71 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2748151-B1 | PYRIMIDINE PDE10 INHIBITORS | MERCK SHARP & DOHME (US) | 2016-03-16 | — | — | EP | disclosed |
| US-9062059-B2 | Pyrimidine PDE10 inhibitors | MERCK SHARP & DOHME CORP. (US) | 2015-06-23 | — | — | US | disclosed |
| US-9062059-B2 | Pyrimidine PDE10 inhibitors | MERCK SHARP & DOHME CORP. (US) | 2015-06-23 | — | — | US | disclosed |
| US-20140228368-A1 | PYRIMIDINE PDE10 INHIBITORS | MERCK SHARP & DOHME LLC | 2014-08-14 | — | — | US | disclosed |
| US-20140228368-A1 | PYRIMIDINE PDE10 INHIBITORS | MERCK SHARP & DOHME LLC | 2014-08-14 | — | — | US | disclosed |
| US-20120053053-A1 | PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES | SYNGENTA CROP PROTECTION, LLC (US) | 2012-03-01 | — | — | US | disclosed |
| US-20100179127-A1 | PYRIMIDINE DERIVATIVES | NOVARTIS AG (CH) | 2010-07-15 | — | — | US | disclosed |
| US-20100179127-A1 | PYRIMIDINE DERIVATIVES | NOVARTIS AG (CH) | 2010-07-15 | — | — | US | disclosed |
| US-20100179127-A1 | PYRIMIDINE DERIVATIVES | NOVARTIS AG (CH) | 2010-07-15 | — | — | US | disclosed |
| CN-101193868-A | Pyrimidine derivatives for the treatment of GABA B mediated nervous system disorders | NOVARTIS AG (CH) | 2008-06-04 | — | — | CN | disclosed |
| EP-1896428-A1 | PYRIMIDINE DERIVATIVES FOR THE TREATMENT OP GABA B MEDIATED NERVOUS SYSTEM DISORDERS | Novartis AG (CH) | 2008-03-12 | — | — | EP | disclosed |
| WO-2006136442-A1 | PYRIMIDINE DERIVATIVES FOR THE TREATMENT OP GABA B MEDIATED NERVOUS SYSTEM DISORDERS | NOVARTIS AG (CH) | 2006-12-28 | — | — | WO | disclosed |