⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5764497 | 0.86 | CA1 (0.47) | — | |
| SCHEMBL513726 | 0.80 | — | — | |
| SCHEMBL385363 | 0.80 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL2914469 | 0.80 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL22144904 | 0.80 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL7436243 | 0.78 | — | — | |
| SCHEMBL15314124 | 0.78 | — | — | |
| SCHEMBL3933264 | 0.78 | — | — | |
| SCHEMBL113543 | 0.78 | SMN1; SMN2 (0.45) | — | |
| SCHEMBL184608 | 0.78 | — | — |
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 |