⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27531934 | 0.84 | MAPK1 (0.32) | — | |
| SCHEMBL7947746 | 0.81 | OPRM1 (0.50) | — | |
| SCHEMBL727473 | 0.77 | — | — | |
| SCHEMBL22746947 | 0.77 | — | — | |
| SCHEMBL27786267 | 0.77 | — | — | |
| SCHEMBL2611056 | 0.77 | — | — | |
| SCHEMBL2783019 | 0.77 | — | — | |
| SCHEMBL2736332 | 0.77 | — | — | |
| SCHEMBL12934183 | 0.75 | — | — | |
| SCHEMBL9628725 | 0.74 | LMNA (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 |
|---|---|---|---|---|---|---|---|
| US-11154548-B2 | Monosubstituted or polysubstituted amphiphilic hypocrellin derivative, and preparation method and application thereof | Technical Institute of Physics and Chemistry of the Chinese Academy of Sciences (CN) | 2021-10-26 | — | — | US | disclosed |