⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL151311 | 0.89 | GSTP1 (0.32) | — | |
| Ammonia Solution, Strong SCHEMBL28838555 | 0.86 | GSTP1 (0.32) | — | |
| SCHEMBL1698996 | 0.80 | — | — | |
| SCHEMBL7628702 | 0.76 | — | — | |
| SCHEMBL15104765 | 0.76 | — | — | |
| SCHEMBL18485610 | 0.74 | — | — | |
| SCHEMBL6958516 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL14141608 | 0.72 | — | — | |
| SCHEMBL6967055 | 0.72 | — | — | |
| SCHEMBL6973672 | 0.70 | ALDH1A1 (0.33) | — |
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 |