⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5413447 | 1.00 | — | — | |
| SCHEMBL8993344 | 0.71 | — | — | |
| SCHEMBL28349980 | 0.61 | — | — | |
| SCHEMBL5921785 | 0.58 | — | — | |
| SCHEMBL6067838 | 0.58 | — | — | |
| SCHEMBL10012064 | 0.58 | — | — | |
| SCHEMBL20329 | 0.58 | — | — | |
| SCHEMBL4262980 | 0.58 | — | — | |
| SCHEMBL12477148 | 0.58 | — | — | |
| SCHEMBL6067840 | 0.58 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1987008-A2 | HETEROAROYL-SUBSTITUTED ALANINES | BASF SE (DE) | 2008-11-05 | — | — | EP | disclosed |
| US-7291730-B2 | Pyrimidine compounds and their use | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2007-11-06 | — | — | US | disclosed |
| WO-2007093529-A2 | HETEROAROYL-SUBSTITUTED ALANINES | BASF SE (DE) | 2007-08-23 | — | — | WO | disclosed |
| US-20050107609-A1 | Pyrimidine compounds and their use | SUMITOMO CHEMICAL COMPANY | 2005-05-19 | — | — | US | disclosed |
| US-6838463-B2 | Pyrimidine compounds and their use | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2005-01-04 | — | — | US | disclosed |
| EP-1366026-B1 | PYRIMIDINE COMPOUNDS AND THEIR USE AS PESTICIDES | SUMITOMO CHEMICAL CO (JP) | 2004-12-01 | — | — | EP | disclosed |
| US-20040077669-A1 | Pyrimidine compounds and their use | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2004-04-22 | — | — | US | disclosed |
| EP-1366026-A2 | PYRIMIDINE COMPOUNDS AND THEIR USE | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 2003-12-03 | — | — | EP | disclosed |
| EP-1115711-B1 | REGIOSELECTIVE FLUORINATION OF PHENYL-SUBSTITUTED TRIAZOLINONES | FMC CORP (US) | 2003-06-04 | — | — | EP | disclosed |
| WO-2002024663-A2 | PYRIMIDINE COMPOUNDS AND THEIR USE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-03-28 | — | — | WO | disclosed |
| EP-1115711-A1 | REGIOSELECTIVE FLUORINATION OF PHENYL-SUBSTITUTED TRIAZOLINONES | FMC CORPORATION (US) | 2001-07-18 | — | — | EP | disclosed |
| US-6218545-B1 | Regioselective fluorination of phenyl-substituted triazolinones | FMC CORPORATION | 2001-04-17 | — | — | US | disclosed |
| WO-2000012490-A1 | REGIOSELECTIVE FLUORINATION OF PHENYL-SUBSTITUTED TRIAZOLINONES | FMC CORPORATION (US) | 2000-03-09 | — | — | WO | disclosed |