⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL375352 | 0.72 | — | — | |
| SCHEMBL4529162 | 0.69 | — | — | |
| SCHEMBL375338 | 0.64 | — | — | |
| SCHEMBL2142853 | 0.62 | OPRM1 (0.39) | — | |
| SCHEMBL375287 | 0.61 | — | — | |
| SCHEMBL2400417 | 0.61 | ALDH1A1 (0.30) | — | |
| SCHEMBL30186444 | 0.61 | SMPD1 (0.31) | — | |
| SCHEMBL375624 | 0.60 | LPAR2 (0.33) | — | |
| SCHEMBL375792 | 0.60 | LPAR2 (0.33) | — | |
| SCHEMBL375590 | 0.60 | LPAR2 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7518009-B2 | Process for preparing mercaptoorganyl (alkoxysilanes) | EVONIK DEGUSSA GMBH (DE) | 2009-04-14 | — | — | US | disclosed |
| US-20060252952-A1 | Process for preparing mercaptoorganyl (alkoxysilanes) | DEGUSSA AG (DE) | 2006-11-09 | — | — | US | disclosed |