⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3367365 | 0.77 | COMT (0.32) | — | |
| SCHEMBL1608762 | 0.75 | COMT (0.37) | — | |
| SCHEMBL1608182 | 0.65 | HPGD (0.47) | — | |
| SCHEMBL1608198 | 0.62 | HPGD (0.51) | — | |
| SCHEMBL31206798 | 0.57 | — | — | |
| SCHEMBL3366178 | 0.57 | COMT (0.46) | — | |
| SCHEMBL946365 | 0.54 | DRD3 (0.32) | — | |
| SCHEMBL4256479 | 0.54 | CHRNB2 (0.37) | — | |
| SCHEMBL25614897 | 0.53 | TSHR (0.43) | — | |
| SCHEMBL9219776 | 0.52 | TSHR (0.52) | — |
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-1910325-B1 | NEW PHARMACEUTICAL COMPOUNDS | ORION CORP (FI) | 2010-10-06 | — | — | EP | claimed |