⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9030262 | 0.89 | CHRM1 (0.49) | — | |
| SCHEMBL9031254 | 0.87 | — | — | |
| SCHEMBL9028860 | 0.79 | CYP19A1 (0.38) | — | |
| SCHEMBL9030776 | 0.75 | QPCT (0.37) | — | |
| SCHEMBL9030071 | 0.71 | CHRM2 (0.50) | — | |
| SCHEMBL9029370 | 0.71 | TBXAS1 (0.54) | — | |
| SCHEMBL9030316 | 0.69 | GLA (0.37) | — | |
| SCHEMBL13031367 | 0.68 | LMNA (0.43) | — | |
| SCHEMBL9409671 | 0.67 | — | — | |
| SCHEMBL9030058 | 0.66 | — | — |
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-0426714-B1 | ACETYLENIC IMIDAZOLES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY | UPJOHN CO (US) | 1996-04-03 | — | — | EP | claimed |