⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL696966 | 0.78 | — | — | |
| SCHEMBL6971257 | 0.77 | BRD4 (0.46) | — | |
| SCHEMBL704881 | 0.74 | KMT2A (0.42) | — | |
| SCHEMBL697496 | 0.74 | — | — | |
| SCHEMBL14363249 | 0.74 | MGAM (0.44) | — | |
| SCHEMBL696970 | 0.73 | KMT2A (0.45) | — | |
| SCHEMBL11226295 | 0.70 | — | — | |
| SCHEMBL2769747 | 0.66 | BRD4 (0.40) | — | |
| SCHEMBL698489 | 0.65 | — | — | |
| Acetic Acid SCHEMBL10471007 | 0.65 | SLC6A12 (0.39) | — |
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 |