⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL758415 | 0.86 | TP53 (0.31) | — | |
| SCHEMBL8443791 | 0.79 | CYP1A2 (0.42) | — | |
| SCHEMBL23206497 | 0.79 | TP53 (0.32) | — | |
| Diethylamine SCHEMBL1806685 | 0.79 | TP53 (0.61) | — | |
| SCHEMBL20219109 | 0.77 | MEN1 (0.33) | — | |
| SCHEMBL24245294 | 0.77 | KDM5A (0.40) | — | |
| SCHEMBL2100228 | 0.75 | — | — | |
| SCHEMBL13950426 | 0.75 | — | — | |
| SCHEMBL27695781 | 0.75 | ADH1B (0.33) | — | |
| SCHEMBL13006198 | 0.73 | LMNA (0.38) | — |
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-106822168-B | Compositions of selenium-containing organic compounds and methods of use thereof | 全技术公司 | 2020-11-27 | — | — | CN | disclosed |
| WO-2011079062-A1 | CHARGED POROUS POLYMERIC MEMBRANES AND THEIR PREPARATION | SIEMENS INDUSTRY, INC. (US) | 2011-06-30 | — | — | WO | disclosed |
| US-20110147308-A1 | Charged Porous Polymeric Membranes and Their Preparation | SIEMENS WATER TECHNOLOGIES CORP. (US) | 2011-06-23 | — | — | US | disclosed |