⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28272930 | 0.81 | — | — | |
| SCHEMBL4542700 | 0.79 | — | — | |
| SCHEMBL19443343 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL29462195 | 0.78 | KDM4E (0.53) | — | |
| SCHEMBL28191544 | 0.76 | KDM4E (0.52) | — | |
| SCHEMBL4532908 | 0.75 | KDM4E (0.67) | — | |
| SCHEMBL3337029 | 0.75 | KDM4E (0.50) | — | |
| SCHEMBL12411796 | 0.75 | KDM4E (0.50) | — | |
| SCHEMBL28226304 | 0.75 | MAP3K5 (0.52) | — | |
| SCHEMBL28192186 | 0.75 | KDM4E (0.50) | — |
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-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |