⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8776073 | 1.00 | — | — | |
| SCHEMBL1619248 | 0.74 | — | — | |
| SCHEMBL1619244 | 0.74 | — | — | |
| SCHEMBL4583667 | 0.71 | TSHR (0.43) | — | |
| SCHEMBL4583661 | 0.71 | TSHR (0.43) | — | |
| SCHEMBL1619198 | 0.66 | ALDH1A1 (0.33) | — | |
| SCHEMBL3286850 | 0.65 | — | — | |
| SCHEMBL9284610 | 0.65 | — | — | |
| SCHEMBL3286849 | 0.65 | — | — | |
| SCHEMBL24001783 | 0.65 | — | — |
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-0298756-B1 | Optically active allyl alcohol and process for producing leucotriene B4 using thereof | NISSAN CHEMICAL IND LTD (JP) | 1997-11-26 | — | — | EP | disclosed |