⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9800242 | 0.69 | — | — | |
| SCHEMBL9800241 | 0.68 | ENO1 (0.34) | — | |
| SCHEMBL9800228 | 0.68 | ALDH1A1 (0.35) | — | |
| SCHEMBL9800254 | 0.67 | ALDH1A1 (0.34) | — | |
| SCHEMBL7657267 | 0.66 | — | — | |
| SCHEMBL9800221 | 0.62 | HTR1A (0.32) | — | |
| SCHEMBL9800234 | 0.62 | SRD5A1 (0.33) | — | |
| SCHEMBL9800244 | 0.60 | ALDH1A1 (0.34) | — | |
| SCHEMBL13468009 | 0.58 | — | — | |
| SCHEMBL8432643 | 0.58 | ADRA2C (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0417143-A1 | CYCLIC LACTAMS FOR CHOLESTEROL AND ATHEROSCLEROSIS CONTROL | THE UPJOHN COMPANY (US) | 1991-03-20 | — | — | EP | disclosed |
| WO-1989011856-A2 | CYCLIC LACTAMS FOR CHOLESTEROL AND ATHEROSCLEROSIS CONTROL | THE UPJOHN COMPANY (US) | 1989-12-14 | — | — | WO | disclosed |