⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9532213 | 0.86 | CES1 (0.44) | — | |
| SCHEMBL104701 | 0.79 | — | — | |
| SCHEMBL2050674 | 0.79 | CES2 (0.43) | — | |
| SCHEMBL9432098 | 0.79 | — | — | |
| SCHEMBL9533973 | 0.78 | CES2 (0.38) | — | |
| SCHEMBL21662481 | 0.77 | — | — | |
| SCHEMBL11155275 | 0.76 | CES2 (0.36) | — | |
| SCHEMBL5613308 | 0.75 | — | — | |
| SCHEMBL15796734 | 0.75 | — | — | |
| SCHEMBL107545 | 0.75 | CES2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0555331-A1 | N-SUBSTITUTED IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS. | SEARLE & CO (US) | 1993-08-18 | — | — | EP | disclosed |