⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12146144 | 0.77 | — | — | |
| SCHEMBL703411 | 0.72 | — | — | |
| SCHEMBL28652476 | 0.70 | — | — | |
| SCHEMBL13548741 | 0.70 | — | — | |
| SCHEMBL770898 | 0.69 | POLB (0.44) | — | |
| SCHEMBL7616569 | 0.67 | PTK2 (0.44) | — | |
| SCHEMBL28991347 | 0.67 | GAA (0.40) | — | |
| SCHEMBL9825226 | 0.67 | POLB (0.32) | — | |
| SCHEMBL15674889 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL7609646 | 0.66 | MAPK8 (0.43) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9227957-B2 | Pesticidal pyrimidine compounds | DOW AGROSCIENCES LLC (US) | 2016-01-05 | — | — | US | disclosed |
| US-20150141446-A1 | PESTICIDAL PYRIMIDINE COMPOUNDS | CORTEVA AGRISCIENCE LLC | 2015-05-21 | — | — | US | disclosed |
| US-8916578-B2 | Pesticidal pyrimidine compounds | DOW AGROSCIENCES, LLC. (US) | 2014-12-23 | — | — | US | disclosed |
| US-20140221408-A1 | PESTICIDAL PYRIMIDINE COMPOUNDS | DOW AGROSCIENCES, LLC (US) | 2014-08-07 | — | — | US | disclosed |
| US-8785465-B2 | Pesticidal pyrimidine compounds | Dow AgroSciences, L.L.C. (US) | 2014-07-22 | — | — | US | disclosed |
| US-20140134271-A1 | PESTICIDAL PYRIMIDINE COMPOUNDS | DOW AGROSCIENCES LLC (US) | 2014-05-15 | — | — | US | disclosed |
| EP-2404909-B1 | AMIDE THIAZOLE DERIVATIVE, PREPARATION METHOD AND USES THEREOF | TIANJIN INST PHARM RESEARCH (CN) | 2013-05-29 | — | — | EP | disclosed |