⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL932523 | 0.97 | — | — | |
| SCHEMBL1938094 | 0.85 | — | — | |
| SCHEMBL2279732 | 0.85 | — | — | |
| SCHEMBL23406954 | 0.84 | FFAR3 (0.42) | — | |
| SCHEMBL16609955 | 0.82 | ALDH1A1 (0.42) | — | |
| SCHEMBL246831 | 0.82 | ALDH1A1 (0.42) | — | |
| SCHEMBL16609936 | 0.82 | ALDH1A1 (0.42) | — | |
| SCHEMBL651351 | 0.82 | ALDH1A1 (0.42) | — | |
| SCHEMBL13497066 | 0.82 | ALDH1A1 (0.42) | — | |
| SCHEMBL11298532 | 0.80 | FFAR3 (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5049696-A | Enzyme inhibitors | MERCK & CO., INC. (US) | 1991-09-17 | — | — | US | disclosed |
| US-4847306-A | ENZYME INHIBITORS | MERCK & CO., INC. (US) | 1989-07-11 | — | — | US | disclosed |
| EP-0245004-A2 | Antihypercholesterolemic compounds | MERCK & CO. INC. (US) | 1987-11-11 | — | — | EP | disclosed |