⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7836989 | 0.72 | — | — | |
| SCHEMBL7826482 | 0.62 | — | — | |
| SCHEMBL766221 | 0.61 | — | — | |
| Carbon Dioxide SCHEMBL22205013 | 0.59 | — | — | |
| SCHEMBL7826523 | 0.57 | — | — | |
| SCHEMBL2018589 | 0.57 | — | — | |
| SCHEMBL205855 | 0.56 | — | — | |
| SCHEMBL1985773 | 0.53 | — | — | |
| SCHEMBL122312 | 0.49 | — | — | |
| SCHEMBL17552094 | 0.49 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1257531-A2 | METHOD FOR THE PREPARATION OF CARBOTHIOIC ACIDS | Abbott Laboratories (US) | 2002-11-20 | — | — | EP | disclosed |
| WO-2001062722-A2 | METHOD FOR THE PREPARATION OF FLUTICASONE AND RELATED 17BETA-CARBOTHIOIC ESTERS USING A NOVEL CARBOTHIOIC ACID SYNTHESIS AND NOVEL PURIFICATION METHODS | ABBOTT LABORATORIES (US) | 2001-08-30 | — | — | WO | disclosed |
| US-6204221-B1 | Herbicides | SYNGENTA CROP PROTECTION, INC. | 2001-03-20 | — | — | US | disclosed |
| EP-1080088-A1 | PYRIDYL-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS HERBICIDES | Novartis AG (CH) | 2001-03-07 | — | — | EP | disclosed |
| WO-1999059990-A1 | PYRIDYL-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS HERBICIDES | NOVARTIS AG (CH) | 1999-11-25 | — | — | WO | disclosed |
| EP-0941222-A2 | PYRAZOLE DERIVATIVES USEFUL AS HERBICIDES | Novartis AG (CH) | 1999-09-15 | — | — | EP | disclosed |
| WO-1998021199-A2 | PYRAZOLE DERIVATIVES USEFUL AS HERBICIDES | NOVARTIS AG (CH) | 1998-05-22 | — | — | WO | disclosed |