⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL333169 | 0.78 | DUT (0.34) | — | |
| SCHEMBL11580466 | 0.75 | DUT (0.42) | — | |
| SCHEMBL1038400 | 0.74 | ODC1 (0.42) | — | |
| SCHEMBL15141679 | 0.74 | CYP2D6 (0.41) | — | |
| SCHEMBL31207758 | 0.74 | — | — | |
| SCHEMBL370773 | 0.73 | DUT (0.30) | — | |
| SCHEMBL1785391 | 0.72 | DUT (0.38) | — | |
| SCHEMBL1876308 | 0.72 | — | — | |
| SCHEMBL12985561 | 0.72 | — | — | |
| SCHEMBL8857167 | 0.72 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110669058-A | Tricyclic quinolone carboxylic acid and preparation method thereof | 江西农业大学 | 2020-01-10 | — | — | CN | claimed |
| CN-110669058-A | Tricyclic quinolone carboxylic acid and preparation method thereof | 江西农业大学 | 2020-01-10 | — | — | CN | disclosed |
| US-9149465-B2 | Isoxazolines as inhibitors of fatty acid amide hydrolase | INFINITY PHARMACEUTICALS, INC. (US) | 2015-10-06 | — | — | US | disclosed |
| EP-2432771-A1 | ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE | Infinity Pharmaceuticals, Inc. (US) | 2012-03-28 | — | — | EP | disclosed |
| US-20110028478-A1 | ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE | INFINITY PHARMACEUTICALS, INC. (US) | 2011-02-03 | — | — | US | disclosed |
| WO-2010135360-A1 | ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE | INFINITY PHARMACEUTICALS, INC. (US) | 2010-11-25 | — | — | WO | disclosed |