⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29448509 | 0.81 | — | — | |
| SCHEMBL6826835 | 0.81 | — | — | |
| SCHEMBL30184838 | 0.81 | — | — | |
| SCHEMBL84451 | 0.81 | — | — | |
| Water SCHEMBL8524004 | 0.79 | HSP90AA1 (0.41) | — | |
| SCHEMBL29857995 | 0.77 | — | — | |
| SCHEMBL5340555 | 0.77 | — | — | |
| SCHEMBL21918669 | 0.77 | — | — | |
| SCHEMBL28803015 | 0.77 | — | — | |
| SCHEMBL19413126 | 0.77 | HSP90AA1 (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019149260-A1 | PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF | 青岛清原化合物有限公司 | 2019-08-08 | — | — | WO | disclosed |
| JP-2003089691-A | 6-(1-FLUOROETHYL)PYRIMIDINE COMPOUND AND METHOD FOR PRODUCING THE SAME | UBE IND LTD | 2003-03-28 | — | — | JP | disclosed |
| JP-2003089691-A | 6-(1-FLUOROETHYL)PYRIMIDINE COMPOUND AND METHOD FOR PRODUCING THE SAME | UBE IND LTD | 2003-03-28 | — | — | JP | disclosed |