⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23229294 | 0.87 | DGAT1 (0.34) | — | |
| SCHEMBL23229422 | 0.76 | CXCR3 (0.30) | — | |
| SCHEMBL2376935 | 0.67 | DGAT1 (0.36) | — | |
| SCHEMBL19588441 | 0.67 | MTNR1A (0.44) | — | |
| SCHEMBL2377597 | 0.66 | DGAT1 (0.34) | — | |
| SCHEMBL23229522 | 0.66 | — | — | |
| SCHEMBL2376267 | 0.65 | NPC1 (0.37) | — | |
| SCHEMBL21483126 | 0.65 | BACE1 (0.35) | — | |
| SCHEMBL22403208 | 0.64 | FGFR1 (0.36) | — | |
| SCHEMBL23229192 | 0.63 | ALDH1A1 (0.32) | — |
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-20210107908-A1 | PHARMACEUTICAL COMPOUNDS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2021-04-15 | — | — | US | disclosed |