⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2661562 | 0.80 | — | — | |
| SCHEMBL2553158 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL4342319 | 0.78 | LTA4H (0.36) | — | |
| SCHEMBL23725798 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL19462371 | 0.77 | NCF1 (0.45) | — | |
| SCHEMBL3933262 | 0.75 | ACHE (0.38) | — | |
| SCHEMBL4070748 | 0.75 | — | — | |
| SCHEMBL2559021 | 0.75 | HRH3 (0.37) | — | |
| SCHEMBL30832040 | 0.75 | L3MBTL1 (0.44) | — | |
| SCHEMBL13895170 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230192677-A1 | CYP11A1 INHIBITORS | ORION CORPORATION (FI) | 2023-06-22 | — | — | US | disclosed |