⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8566396 | 0.83 | PDE2A (0.33) | — | |
| SCHEMBL6644680 | 0.75 | — | — | |
| SCHEMBL8562374 | 0.75 | CYP11B2 (0.41) | — | |
| SCHEMBL8581331 | 0.73 | CYP19A1 (0.39) | — | |
| SCHEMBL8566426 | 0.72 | — | — | |
| SCHEMBL8577562 | 0.71 | NR3C1 (0.31) | — | |
| SCHEMBL6643185 | 0.70 | PDE2A (0.40) | — | |
| SCHEMBL8558949 | 0.70 | — | — | |
| SCHEMBL13784460 | 0.70 | CYP11B1 (0.30) | — | |
| SCHEMBL8576655 | 0.69 | PDE2A (0.35) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5773388-A | Pyrimidine derivatives, herbicides and plant growth regulators | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 1998-06-30 | — | — | US | disclosed |
| US-5716904-A | FOR BROARD LEAF WEEDS | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 1998-02-10 | — | — | US | disclosed |
| EP-0764641-A1 | NOVEL 4,5-DISUBSTITUTED PYRIMIDINE DERIVATIVE AND HERBICIDE | NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) | 1997-03-26 | — | — | EP | disclosed |
| CN-1133589-A | Novel pyrimidine derivative, herbicide and plant growth regulator | NISSAN CHEMICAL IND LTD (JP) | 1996-10-16 | — | — | CN | disclosed |
| EP-0713872-A1 | NOVEL PYRIMIDINE DERIVATIVE, HERBICIDE AND PLANT GROWTH REGULATOR | NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) | 1996-05-29 | — | — | EP | disclosed |