⚠ 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL7919589 | 0.95 | MIF (0.43) | — | |
| SCHEMBL3496894 | 0.76 | — | — | |
| SCHEMBL485848 | 0.76 | — | — | |
| SCHEMBL10658392 | 0.76 | — | — | |
| SCHEMBL10674418 | 0.75 | TRPA1 (0.42) | — | |
| Water SCHEMBL27647043 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL10476096 | 0.74 | — | — | |
| SCHEMBL1457050 | 0.73 | — | — | |
| SCHEMBL4531745 | 0.72 | — | — | |
| SCHEMBL341358 | 0.69 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109734679-B | Combined preparation method of isothiocyanate and phosphorus-nitrogen-sulfur flame retardant | 石家庄学院 | 2022-04-05 | — | — | CN | disclosed |
| US-8110686-B2 | Azoles as malonyl-CoA decarboxylase inhibitors useful as metabolic modulators | CHUGAI SEIYAKI KABUSHIKI KAISHA (JP) | 2012-02-07 | — | — | US | disclosed |
| US-20110028514-A1 | Azoles as Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2011-02-03 | — | — | US | disclosed |
| US-20110009392-A1 | GAMMA SECRETASE MODULATORS | SCHERING CORPORATION | 2011-01-13 | — | — | US | disclosed |
| US-20100298381-A1 | GAMMA SECRETASE MODULATORS | SCHERING CORPORATION | 2010-11-25 | — | — | US | disclosed |
| EP-2205567-A1 | GAMMA SECRETASE MODULATORS | SCHERING CORPORATION (US) | 2010-07-14 | — | — | EP | disclosed |
| EP-2185522-A1 | GAMMA SECRETASE MODULATORS | SCHERING CORPORATION (US) | 2010-05-19 | — | — | EP | disclosed |
| US-7709510-B2 | Azoles as malonyl-CoA decarboxylase inhibitors useful as metabolic modulators | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2010-05-04 | — | — | US | disclosed |
| WO-2009045314-A1 | GAMMA SECRETASE MODULATORS | SCHERING CORPORATION (US) | 2009-04-09 | — | — | WO | disclosed |
| WO-2009020580-A1 | GAMMA SECRETASE MODULATORS | SCHERING CORPORATION (US) | 2009-02-12 | — | — | WO | disclosed |
| US-20040092503-A1 | Azoles as malonyl-coa decarboxylase inhibitors useful as metabolic modulators | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2004-05-13 | — | — | US | disclosed |
| EP-1370260-A2 | AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2003-12-17 | — | — | EP | disclosed |
| WO-2003090746-A1 | 1,3-THIAZOLES AS LXR MODULATORS IN THE TREATMENT OF CARDIOVASCULAR DISEASES | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2003-11-06 | — | — | WO | disclosed |
| WO-2002066035-A2 | AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2002-08-29 | — | — | WO | disclosed |