⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8566402 | 0.76 | APLNR (0.33) | — | |
| SCHEMBL8561982 | 0.72 | — | — | |
| SCHEMBL26598773 | 0.70 | — | — | |
| SCHEMBL8561818 | 0.68 | APLNR (0.30) | — | |
| SCHEMBL8176734 | 0.66 | POLB (0.36) | — | |
| SCHEMBL8558953 | 0.66 | — | — | |
| SCHEMBL8562383 | 0.65 | IDO1 (0.33) | — | |
| SCHEMBL8930549 | 0.65 | TSHR (0.33) | — | |
| SCHEMBL8566429 | 0.64 | — | — | |
| SCHEMBL8930575 | 0.64 | CYP19A1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1238343-C | Pyrimidine derivatives and herbicides containing the same | KUMIAL CHEMICAL INDUSTRY CO LT (JP) | 2006-01-25 | — | — | CN | disclosed |
| EP-1211246-B1 | PYRIMIDINE DERIVATIVES AND HERBICIDES CONTAINING THE SAME | KUMIAI CHEMICAL INDUSTRY CO (JP) | 2004-02-25 | — | — | EP | disclosed |
| CN-1372552-A | Pyrimidine derivatives and herbicides containing the same | KUMIAL CHEMICAL INDUSTRY CO LT (JP) | 2002-10-02 | — | — | CN | disclosed |
| EP-1211246-A1 | PYRIMIDINE DERIVATIVES AND HERBICIDES CONTAINING THE SAME | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 2002-06-05 | — | — | EP | disclosed |