⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10975248 | 0.78 | — | — | |
| SCHEMBL1357459 | 0.75 | — | — | |
| SCHEMBL1149901 | 0.75 | — | — | |
| SCHEMBL1203334 | 0.75 | — | — | |
| O,O-Diethyl S-Hydrogen Phosphorothioate SCHEMBL600183 | 0.75 | — | — | |
| SCHEMBL11431082 | 0.74 | — | — | |
| O,O-Diethyl S-Hydrogen Phosphorothioate SCHEMBL1502086 | 0.73 | PPARD (0.39) | — | |
| O,O-Diethyl S-Hydrogen Phosphorothioate SCHEMBL4585075 | 0.73 | PPARD (0.39) | — | |
| O,O-Diethyl S-Hydrogen Phosphorothioate SCHEMBL8429419 | 0.73 | PPARD (0.39) | — | |
| Ammonia Solution, Strong SCHEMBL8520480 | 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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-61068495-A | — | — | None | — | — | JP | disclosed |
| JP-2006496-A | — | — | None | — | — | JP | disclosed |
| CN-100344640-C | Process for preparing haptens for immunoassay of phosphorothioate pesticides | LEE YONG TAE (KR) | 2007-10-24 | — | — | CN | disclosed |
| WO-2003055895-A1 | A PROCESS FOR PREPARING HAPTENS FOR IMMUNOASSAY OF PHOSPHOROTHIATE PESTICIDES | LEE YONG-TAE (KR) | 2003-07-10 | — | — | WO | disclosed |
| US-4973583-A | Pesticidal O-halogenocyclobutyl S-alkyl (di)thiphosph)(on)ates | BAYER AKTIENGESELLSCHAFT (DE) | 1990-11-27 | — | — | US | disclosed |
| JP-H026496-A | ORGANIC PHOSPHORIC ACID AMIDE COMPOUND, ITS PRODUCTION AND HARMFUL ANIMAL-CONTROLLING AGENT CONTAINING THE SAME COMPOUND | ISHIHARA SANGYO KAISHA LTD | 1990-01-10 | — | — | JP | disclosed |
| EP-0222253-A1 | Substituted 5-amino-1-aryl-pyrazoles | BAYER AG (DE) | 1987-05-20 | — | — | EP | disclosed |
| JP-S6168495-A | ORGANIC PHOSPHOROUS COMPOUND, INSECTICIDE, ACARICIDE, AND NEMATOCIDE COMPRISING IT | ISHIHARA SANGYO KAISHA LTD | 1986-04-08 | — | — | JP | disclosed |
| US-4194029-A | Novel 4-chromanone-7-phosphates and phosphonates and the insecticidal use thereof | STAUFFER CHEMICAL COMPANY (US) | 1980-03-18 | — | — | US | disclosed |