⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31384134 | 0.76 | NOS3 (0.31) | — | |
| SCHEMBL8769964 | 0.73 | — | — | |
| SCHEMBL9011816 | 0.69 | SHBG (0.33) | — | |
| SCHEMBL29156494 | 0.64 | — | — | |
| SCHEMBL1040155 | 0.63 | — | — | |
| SCHEMBL8764683 | 0.63 | ALDH1A1 (0.30) | — | |
| SCHEMBL1041349 | 0.63 | ALDH1A1 (0.30) | — | |
| SCHEMBL8798701 | 0.63 | ALDH1A1 (0.30) | — | |
| SCHEMBL8151644 | 0.62 | — | — | |
| SCHEMBL27543520 | 0.62 | ALDH1A1 (0.32) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1837221-B | Production processes for triorganomonochlorosilanes | HOKKO CHEM IND CO | 2011-06-08 | — | — | CN | disclosed |
| CN-1296374-C | Method for producing triorgano-monoalkoxysilanes and method for producing triorgano-monochlorosilanes | HOKKO CHEM IND CO (JP) | 2007-01-24 | — | — | CN | disclosed |
| EP-1518851-B1 | Process for the preparation of liquid crystalline ethers | AZ ELECTRONIC MATERIALS D GMBH (DE) | 2006-11-22 | — | — | EP | disclosed |
| CN-1837221-A | Production processes for triorganomonochlorosilanes | HOKKO CHEM IND CO (JP) | 2006-09-27 | — | — | CN | disclosed |
| CN-1612886-A | Method for producing triorgano-monoalkoxysilanes and method for producing triorgano-monochlorosilanes | HOKKO CHEM IND CO (JP) | 2005-05-04 | — | — | CN | disclosed |
| EP-1518851-A1 | Process for the preparation of liquid crystalline ethers | CLARIANT INTERNATIONAL LTD. (CH) | 2005-03-30 | — | — | EP | disclosed |