⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10686269 | 1.00 | — | — | |
| SCHEMBL10686260 | 1.00 | — | — | |
| Propene SCHEMBL27868889 | 0.87 | ALDH1A1 (0.41) | — | |
| SCHEMBL4438376 | 0.80 | — | — | |
| SCHEMBL4544101 | 0.80 | — | — | |
| SCHEMBL4544097 | 0.80 | — | — | |
| SCHEMBL28929335 | 0.76 | — | — | |
| SCHEMBL20913028 | 0.76 | — | — | |
| SCHEMBL20913029 | 0.76 | — | — | |
| SCHEMBL468412 | 0.75 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013030665-A1 | PYRIMIDINES AS SODIUM CHANNEL BLOCKERS | PURDUE PHARMA L.P. (US) | 2013-03-07 | — | — | WO | disclosed |
| WO-2009035159-A1 | 3-METHYL-2- ( (2S) -2- (4- (3-METHYL-L, 2, 4-0XADIAZ0L-5-YL) PHENYL) MORPHOLINO) -6- (PYRIMIDIN-4-YL) PYRIMIDIN-4 (3H) -ONE AS TAU PROTEIN KINASE INHIBITOR | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2009-03-19 | — | — | WO | disclosed |
| US-4726835-A | Herbicidal and plant growth regulating imidazoline derivatives | IDEMITSU KOSAN COMPANY LIMITED (JP) | 1988-02-23 | — | — | US | disclosed |
| EP-0227967-A2 | Imidazoline derivatives, process for preparing same, herbicide containing same, and plant growth regulator containing same | IDEMITSU KOSAN COMPANY LIMITED (JP) | 1987-07-08 | — | — | EP | disclosed |