⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17887954 | 0.79 | — | — | |
| SCHEMBL4054347 | 0.76 | — | — | |
| SCHEMBL13068745 | 0.75 | TSHR (0.30) | — | |
| SCHEMBL25903608 | 0.75 | — | — | |
| SCHEMBL154216 | 0.75 | CD81 (0.33) | — | |
| SCHEMBL183456 | 0.75 | CD81 (0.33) | — | |
| SCHEMBL13001280 | 0.75 | ALDH1A1 (0.37) | — | |
| SCHEMBL547636 | 0.73 | KDM4E (0.32) | — | |
| SCHEMBL19309124 | 0.73 | ALDH1A1 (0.36) | — | |
| SCHEMBL1783948 | 0.71 | PTPN1 (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-2125735-B1 | 2,2,2-TRI-SUBSTITUTED ACETAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION | ADVINUS THERAPEUTICS PRIVATE LTD (IN) | 2012-06-27 | — | — | EP | disclosed |