⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12251277 | 0.77 | — | — | |
| SCHEMBL13998188 | 0.73 | STAT3 (0.43) | — | |
| SCHEMBL22662483 | 0.66 | STAT3 (0.61) | — | |
| SCHEMBL22662484 | 0.66 | STAT3 (0.61) | — | |
| SCHEMBL1031187 | 0.66 | STAT3 (0.61) | — | |
| SCHEMBL29655170 | 0.60 | STAT3 (0.61) | — | |
| SCHEMBL22645247 | 0.57 | STAT3 (0.59) | — | |
| SCHEMBL22699377 | 0.52 | NR1H2 (0.66) | — | |
| SCHEMBL8707573 | 0.52 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL8707576 | 0.50 | ESR1 (0.37) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2661266-B1 | CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES | ANJI PHARMA (US) LLC (US) | 2020-09-16 | — | — | EP | disclosed |