⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1017647 | 0.81 | — | — | |
| SCHEMBL6235297 | 0.71 | — | — | |
| SCHEMBL3278938 | 0.69 | — | — | |
| SCHEMBL1263460 | 0.69 | — | — | |
| Acrylamide SCHEMBL10523241 | 0.67 | ALDH1A1 (0.69) | — | |
| Acrylamide SCHEMBL8978032 | 0.67 | ALDH1A1 (0.69) | — | |
| Acrylamide SCHEMBL3051 | 0.66 | — | — | |
| Acrylamide SCHEMBL170034 | 0.66 | TSHR (1.00) | — | |
| Acrylamide SCHEMBL183292 | 0.66 | TSHR (1.00) | — | |
| Acrylamide SCHEMBL1332245 | 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 |
|---|---|---|---|---|---|---|---|
| US-5064649-A | CEPHALOSPORIN DERIVATIVES | BEECHAM GROUP P.L.C. (GB) | 1991-11-12 | — | — | US | claimed |