⚠ 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 | |
|---|---|---|---|---|
| O,O-Diethyl S-Hydrogen Phosphorothioate SCHEMBL600183 | 0.83 | — | — | |
| O,O-Diethyl S-Hydrogen Phosphorothioate SCHEMBL8429419 | 0.80 | PPARD (0.39) | — | |
| O,O-Diethyl S-Hydrogen Phosphorothioate SCHEMBL4585075 | 0.80 | PPARD (0.39) | — | |
| O,O-Diethyl S-Hydrogen Phosphorothioate SCHEMBL1502086 | 0.80 | PPARD (0.39) | — | |
| SCHEMBL10975255 | 0.80 | — | — | |
| O,O-Diethyl S-Hydrogen Phosphorothioate SCHEMBL28542642 | 0.76 | TSHR (0.38) | — | |
| O,O-Diethyl S-Hydrogen Phosphorothioate SCHEMBL28187474 | 0.76 | POLB (0.36) | — | |
| SCHEMBL6971696 | 0.76 | — | — | |
| SCHEMBL17748479 | 0.76 | — | — | |
| SCHEMBL9003257 | 0.75 | LPAR3 (0.61) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |