⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2926273 | 0.64 | — | — | |
| SCHEMBL13620740 | 0.64 | TRPA1 (0.38) | — | |
| SCHEMBL23519760 | 0.63 | — | — | |
| SCHEMBL15980392 | 0.60 | — | — | |
| SCHEMBL22238836 | 0.60 | PDE3B (0.41) | — | |
| SCHEMBL20863344 | 0.60 | ALDH1A1 (0.33) | — | |
| SCHEMBL23396540 | 0.60 | MEN1 (0.39) | — | |
| SCHEMBL8984087 | 0.60 | — | — | |
| SCHEMBL14024431 | 0.60 | — | — | |
| SCHEMBL22905751 | 0.58 | HTR2C (0.43) | — |
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-3858824-A1 | APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS | Gilead Sciences, Inc. (US) | 2021-08-04 | — | — | EP | disclosed |