⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10307513 | 0.77 | MEN1 (0.30) | — | |
| SCHEMBL22878266 | 0.76 | — | — | |
| SCHEMBL22878264 | 0.71 | — | — | |
| SCHEMBL29702769 | 0.62 | CYP3A4 (0.32) | — | |
| SCHEMBL29631828 | 0.62 | CYP3A4 (0.32) | — | |
| SCHEMBL12459117 | 0.62 | CYP3A4 (0.32) | — | |
| SCHEMBL15449258 | 0.57 | MEN1 (0.31) | — | |
| Isozaluzanin C SCHEMBL17214374 | 0.54 | PKM (0.40) | — | |
| SCHEMBL14339418 | 0.52 | ALDH1A1 (0.37) | — | |
| SCHEMBL13576871 | 0.52 | ALDH1A1 (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-3763419-A1 | CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES | Anji Pharma (US) LLC (US) | 2021-01-13 | — | — | EP | disclosed |