⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5799987 | 0.80 | — | — | |
| SCHEMBL14989515 | 0.76 | — | — | |
| SCHEMBL194643 | 0.70 | — | — | |
| SCHEMBL7604249 | 0.67 | APLNR (0.41) | — | |
| SCHEMBL5208831 | 0.67 | — | — | |
| SCHEMBL5677484 | 0.67 | — | — | |
| SCHEMBL22529462 | 0.67 | — | — | |
| SCHEMBL21341302 | 0.64 | NUDT1 (0.32) | — | |
| SCHEMBL5798424 | 0.62 | — | — | |
| SCHEMBL10220198 | 0.62 | CA1 (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-9056110-B2 | Substituted pyrimidinone-phenyl-pyrimidinyl compounds | CONFLUENCE LIFE SCIENCES, INC. (US) | 2015-06-16 | — | — | US | disclosed |
| US-20130143906-A1 | SUBSTITUTED PYRIMIDINONE-PHENYL-PYRIMIDINYL COMPOUNDS | CONFLUENCE LIFE SCIENCES, INC. (US) | 2013-06-06 | — | — | US | disclosed |
| EP-1685124-A1 | SUBSTITUTED NITROGEN-CONTAINING SIX-MEMBERED AMINO-HETEROCYCLES AS VANILLOID-1 RECEPTOR ANTAGONISTS FOR TREATING PAIN | MERCK SHARP & DOHME LTD. (GB) | 2006-08-02 | — | — | EP | disclosed |
| WO-2006038041-A1 | BESYLATE SALTS OF SIX-MEMBERED AMINO-HETEROCYCLES AS VANILLOID-1 RECEPTOR ANTAGONISTS FOR TREATING PAIN | MERCK SHARP & DOHME LIMITED (GB) | 2006-04-13 | — | — | WO | disclosed |
| US-20050197342-A1 | Substituted nitrogen-containing six-membered amino-heterocycles as vanilloid-1 receptor antagonists for treating pain | HOLLINGWORTH GREGORY J (GB) | 2005-09-08 | — | — | US | disclosed |
| WO-2005047279-A1 | SUBSTITUTED NITROGEN-CONTAINING SIX-MEMBERED AMINO-HETEROCYCLES AS VANILLOID-1 RECEPTOR ANTAGONISTS FOR TREATING PAIN | MERCK SHARP & DOHME LIMITED (GB) | 2005-05-26 | — | — | WO | disclosed |