⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7120676 | 0.88 | — | — | |
| SCHEMBL6782152 | 0.87 | — | — | |
| SCHEMBL6901290 | 0.80 | BRD4 (0.33) | — | |
| SCHEMBL6782563 | 0.78 | — | — | |
| SCHEMBL6428332 | 0.72 | GSK3B (0.42) | — | |
| SCHEMBL6431430 | 0.71 | NAMPT (0.48) | — | |
| SCHEMBL6527019 | 0.69 | POLB (0.34) | — | |
| SCHEMBL6777138 | 0.68 | HDAC1 (0.51) | — | |
| SCHEMBL12929062 | 0.66 | L3MBTL1 (0.41) | — | |
| SCHEMBL1841985 | 0.64 | KDM4E (0.44) | — |
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-6753316-B1 | 3-ACRYLAMIDOPYRAZOLE-5-CARBOXAMIDE DERIVATIVES | PHARMACIA & UPJOHN S.P.A. (IT) | 2004-06-22 | — | — | US | disclosed |