⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL20657265 | 0.97 | CYP2C19 (0.41) | — | |
| SCHEMBL27872838 | 0.80 | — | — | |
| SCHEMBL4667751 | 0.80 | — | — | |
| SCHEMBL841906 | 0.73 | — | — | |
| SCHEMBL8871462 | 0.72 | ALDH1A1 (0.59) | — | |
| SCHEMBL15033654 | 0.72 | TET2 (0.39) | — | |
| SCHEMBL8936367 | 0.72 | CYP2C19 (0.39) | — | |
| Diethylamine SCHEMBL21838406 | 0.71 | TP53 (0.57) | — | |
| SCHEMBL11518735 | 0.71 | FDPS (0.58) | — | |
| SCHEMBL24541955 | 0.71 | CYP2C19 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7704939-B2 | Surfactant | SANYO CHEMICAL INDUSTRIES, LTD. (JP) | 2010-04-27 | — | — | US | disclosed |
| US-20070167343-A1 | neutralized salt including alkylbenzenesulphonates (toluenesulfonic acid guanidine salt, toluenesulfonic acid DBU salt, toluenesulfonic acid DBN salt) for cleaning electonics | SANYO CHEMICAL INDUSTRIES, LTD. (JP) | 2007-07-19 | — | — | US | disclosed |
| US-20050245422-A1 | Alkali cleaner | SANYO CHEMICAL INDUSTRIES, LTD. (JP) | 2005-11-03 | — | — | US | disclosed |