⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8460356 | 0.75 | — | — | |
| O,O-Diethyl S-Hydrogen Phosphorothioate SCHEMBL466088 | 0.75 | — | — | |
| SCHEMBL237625 | 0.75 | — | — | |
| SCHEMBL50875 | 0.75 | — | — | |
| SCHEMBL11016486 | 0.75 | — | — | |
| SCHEMBL11404506 | 0.75 | ALDH1A1 (0.36) | — | |
| O,O-Diethyl S-Hydrogen Phosphorothioate SCHEMBL11773311 | 0.73 | TSHR (0.53) | — | |
| SCHEMBL1692084 | 0.73 | — | — | |
| O,O-Diethyl S-Hydrogen Phosphorothioate SCHEMBL11253890 | 0.73 | TSHR (0.53) | — | |
| SCHEMBL328739 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4973583-A | Pesticidal O-halogenocyclobutyl S-alkyl (di)thiphosph)(on)ates | BAYER AKTIENGESELLSCHAFT (DE) | 1990-11-27 | — | — | US | disclosed |
| US-4783451-A | Organophosphorus, compounds and insecticidal, miticidal, nematicidal or soil pesticidal compositions containing them | ISHIHARA SANGYO KAISHA LTD. (JP) | 1988-11-08 | — | — | US | disclosed |
| EP-0186124-A1 | Organophosphorus compounds, process for their preparation and insecticidal, miticidal, nematicidal or soil pesticidal compositions containing them | ISHIHARA SANGYO KAISHA, LTD. (JP) | 1986-07-02 | — | — | EP | disclosed |