⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL604100 | 0.68 | — | — | |
| SCHEMBL2241122 | 0.63 | — | — | |
| SCHEMBL6058542 | 0.61 | — | — | |
| SCHEMBL170866 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL12479156 | 0.61 | — | — | |
| Tetrahydrofuran SCHEMBL17114599 | 0.60 | — | — | |
| SCHEMBL8132933 | 0.60 | ALDH1A1 (0.45) | — | |
| SCHEMBL14714925 | 0.58 | — | — | |
| SCHEMBL194443 | 0.57 | — | — | |
| SCHEMBL2240829 | 0.57 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110483492-B | Dipeptidyl peptidase I inhibitors | 阿斯利康(瑞典)有限公司 | 2023-07-21 | — | — | CN | disclosed |
| CN-115799614-A | Secondary battery | 珠海冠宇电池股份有限公司 | 2023-03-14 | — | — | CN | disclosed |
| EP-1343751-A2 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-09-17 | — | — | EP | disclosed |
| WO-2002060859-A2 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY (US) | 2002-08-08 | — | — | WO | disclosed |