⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28235207 | 0.84 | — | — | |
| SCHEMBL13791713 | 0.76 | — | — | |
| SCHEMBL3477233 | 0.76 | — | — | |
| SCHEMBL28753216 | 0.76 | — | — | |
| SCHEMBL670881 | 0.76 | — | — | |
| SCHEMBL5871164 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL2187790 | 0.74 | — | — | |
| SCHEMBL552938 | 0.73 | — | — | |
| SCHEMBL303978 | 0.73 | — | — | |
| SCHEMBL15421298 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105777776-A | Inhibitors Of Protein Tyrosine Kinase Activity | 梅特希尔基因公司 | 2016-07-20 | — | — | CN | disclosed |
| CN-101247804-B | chemical compound | SMITHKLINE BEECHAM CORP | 2012-09-26 | — | — | CN | disclosed |
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |