⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22422492 | 0.77 | — | — | |
| SCHEMBL13998188 | 0.69 | STAT3 (0.43) | — | |
| SCHEMBL22662484 | 0.65 | STAT3 (0.61) | — | |
| SCHEMBL22662483 | 0.65 | STAT3 (0.61) | — | |
| SCHEMBL29655170 | 0.59 | STAT3 (0.61) | — | |
| SCHEMBL22645247 | 0.56 | STAT3 (0.59) | — | |
| SCHEMBL8707573 | 0.50 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL22699377 | 0.49 | NR1H2 (0.66) | — | |
| SCHEMBL25837333 | 0.48 | BACE1 (0.45) | — | |
| SCHEMBL10150452 | 0.46 | CYP3A4 (0.54) | — |
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-8043823-B2 | Methods of identifying agonists and antagonists of hTASR bitter taste receptors | DEUTSCHES INSTITUT FUER ERNAEHRUNGSFORSCHUNG (DE) | 2011-10-25 | — | — | US | disclosed |
| US-20100184796-A1 | AGONISTS OF BITTER TASTE RECEPTORS AND USES THEREOF | DEUTSCHES INSTITUT FÜR ERNÄHRUNGSFORSCHUNG POTSDAM-REHBRÜCKE (DE) | 2010-07-22 | — | — | US | disclosed |