⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12620571 | 0.70 | — | — | |
| SCHEMBL6642282 | 0.70 | — | — | |
| SCHEMBL5222605 | 0.65 | IKBKB (0.33) | — | |
| SCHEMBL3187336 | 0.62 | — | — | |
| SCHEMBL1023866 | 0.60 | MAPT (0.43) | — | |
| SCHEMBL4110758 | 0.56 | — | — | |
| SCHEMBL20014461 | 0.56 | — | — | |
| SCHEMBL8404495 | 0.54 | KDM4E (0.40) | — | |
| SCHEMBL1357553 | 0.53 | — | — | |
| SCHEMBL7559570 | 0.51 | — | — |
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 |