⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL296894 | 0.77 | — | — | |
| SCHEMBL10644432 | 0.77 | — | — | |
| SCHEMBL96050 | 0.77 | — | — | |
| SCHEMBL8994450 | 0.76 | ALDH1A1 (0.35) | — | |
| SCHEMBL6962204 | 0.74 | KDM1A (0.38) | — | |
| SCHEMBL6962199 | 0.74 | KDM1A (0.38) | — | |
| SCHEMBL7030542 | 0.72 | F2 (0.35) | — | |
| SCHEMBL6971704 | 0.72 | GAA (0.35) | — | |
| Water SCHEMBL27831006 | 0.72 | RECQL (0.52) | — | |
| SCHEMBL14480518 | 0.71 | ALDH1A1 (0.48) | — |
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 3 patents. 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 |
| CN-1152908-A | Phenyl acetic acid derivatives, process and intermediate products for their production and agents containing them | BASF AG (DE) | 1997-06-25 | — | — | CN | disclosed |
| CN-1111630-A | Adhesion receptor antagonists | MERCK PATENT GMBH (DE) | 1995-11-15 | — | — | CN | disclosed |