⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22878267 | 0.76 | — | — | |
| SCHEMBL18180912 | 0.71 | MEN1 (0.33) | — | |
| SCHEMBL18180918 | 0.71 | MEN1 (0.33) | — | |
| SCHEMBL19751045 | 0.68 | TLR4 (0.33) | — | |
| SCHEMBL10307520 | 0.65 | MAPT (0.35) | — | |
| SCHEMBL18180889 | 0.65 | MAPT (0.35) | — | |
| SCHEMBL13822287 | 0.64 | CYP3A4 (0.31) | — | |
| SCHEMBL10307515 | 0.60 | — | — | |
| SCHEMBL22305507 | 0.58 | PKM (0.41) | — | |
| SCHEMBL28272103 | 0.56 | — | — |
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 |