⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3124551 | 1.00 | — | — | |
| SCHEMBL6772856 | 1.00 | — | — | |
| SCHEMBL19883127 | 0.77 | — | — | |
| SCHEMBL523028 | 0.76 | — | — | |
| SCHEMBL18656078 | 0.76 | — | — | |
| SCHEMBL24718815 | 0.76 | — | — | |
| SCHEMBL523027 | 0.76 | — | — | |
| SCHEMBL24630408 | 0.76 | — | — | |
| SCHEMBL2032383 | 0.76 | — | — | |
| SCHEMBL524142 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6784197-B2 | SUCH AS (2S)-2-((4S)-4-(2,2-DIFLUOROVINYL)-2-OXOPYRROLIDINYL) BUTANAMIDE; ANTIEPILEPTIC AGENTS; ANTICONVULSANTS | UCB S.A. (BE) | 2004-08-31 | — | — | US | disclosed |