⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7756252 | 0.92 | NPC1 (0.31) | — | |
| SCHEMBL776640 | 0.85 | NPC1 (0.36) | — | |
| SCHEMBL1283388 | 0.85 | NPC1 (0.36) | — | |
| SCHEMBL4613386 | 0.82 | — | — | |
| SCHEMBL2135110 | 0.82 | NPC1 (0.35) | — | |
| SCHEMBL2136773 | 0.82 | NPC1 (0.35) | — | |
| SCHEMBL420429 | 0.78 | — | — | |
| SCHEMBL7754908 | 0.77 | — | — | |
| SCHEMBL1573683 | 0.76 | — | — | |
| SCHEMBL10030567 | 0.76 | ALDH1A1 (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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102097654-B | Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery | MITSUBISHI CHEMICAL CORP. (JP) | 2014-10-01 | — | — | CN | disclosed |
| CN-103259044-A | Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery | MITSUBISHI CHEM CORP | 2013-08-21 | — | — | CN | disclosed |
| CN-102097654-A | Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery | MITSUBISHI CHEM CORP | 2011-06-15 | — | — | CN | disclosed |
| CN-101432923-A | Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery | MITSUBISHI CHEM CORP (JP) | 2009-05-13 | — | — | CN | disclosed |
| US-5250670-A | For discharge or resist printing | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-10-05 | — | — | US | disclosed |
| EP-0535495-A1 | Water-soluble azo compounds, method for their preparation and the use thereof as dyes | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-04-07 | — | — | EP | disclosed |
| EP-0535644-A1 | Water-soluble disazo compounds, method for their preparation and the use thereof as dyes | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-04-07 | — | — | EP | disclosed |
| EP-0534342-A1 | Water-soluble monoazo compounds, method for their preparation and the use thereof as dyes | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-03-31 | — | — | EP | disclosed |