⚠ 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 | |
|---|---|---|---|---|
| Hydrogen Sulfide SCHEMBL5675253 | 0.97 | — | — | |
| Water SCHEMBL10629832 | 0.97 | — | — | |
| SCHEMBL14377217 | 0.77 | — | — | |
| SCHEMBL22964281 | 0.75 | CYP1A2 (0.32) | — | |
| SCHEMBL12174570 | 0.71 | — | — | |
| SCHEMBL17675826 | 0.71 | — | — | |
| SCHEMBL17675821 | 0.71 | — | — | |
| SCHEMBL766937 | 0.71 | — | — | |
| SCHEMBL12524747 | 0.71 | — | — | |
| SCHEMBL16134948 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111108107-B | Pesticidally active heterocyclic derivatives with sulfur containing substituents | 先正达参股股份有限公司 | 2023-09-29 | — | — | CN | disclosed |
| WO-2013041958-A1 | COMPOSITIONS OF NEUTRAL LAYER FOR DIRECTED SELF ASSEMBLY BLOCK COPOLYMERS AND PROCESSES THEREOF | AZ ELECTRONICS MATERIALS USA CORP. (US) | 2013-03-28 | — | — | WO | disclosed |
| US-7223769-B2 | Pyrimidine compounds and their use as pesticides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2007-05-29 | — | — | US | disclosed |
| EP-1483249-B1 | PYRIMIDINE DERIVATIVES AND THEIR USE AS PESTICIDES | SUMITOMO CHEMICAL CO (JP) | 2006-09-06 | — | — | EP | disclosed |
| US-20050171130-A1 | Pyrimidine compounds and their use as pesticides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2005-08-04 | — | — | US | disclosed |