⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8057481 | 0.97 | — | — | |
| SCHEMBL8860465 | 0.77 | MMP2 (0.30) | — | |
| SCHEMBL10348498 | 0.70 | — | — | |
| SCHEMBL11825428 | 0.70 | — | — | |
| SCHEMBL1605056 | 0.70 | — | — | |
| SCHEMBL3062981 | 0.69 | — | — | |
| SCHEMBL10690876 | 0.69 | FDPS (0.30) | — | |
| SCHEMBL5850644 | 0.68 | — | — | |
| SCHEMBL10824054 | 0.67 | — | — | |
| SCHEMBL3072707 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6018067-A | UPGRADING A CRUDE DIHYDROCARBYLTHIOPHOSPHATE PRODUCT CONTAMINATED WITH A DIHYDROCARBYLPOLYSULFIDE AND/OR A DIHYDROCARBYLCHLOROPHOSPHATE, BY TREATING WITH HYPOCHLORITE SOLUTION AND SEPARATING AN AQUEOUS PHASE FROM THE PRODUCT | ALBEMARLE CORPORATION (US) | 2000-01-25 | — | — | US | disclosed |
| US-5955626-A | Process of purifying dihydrocarbylchlorothiophosphates | ALBEMARLE CORPORATION (US) | 1999-09-21 | — | — | US | disclosed |