⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21630200 | 0.79 | — | — | |
| SCHEMBL83048 | 0.78 | — | — | |
| SCHEMBL51415 | 0.78 | — | — | |
| SCHEMBL106951 | 0.76 | — | — | |
| SCHEMBL28385327 | 0.74 | — | — | |
| SCHEMBL540338 | 0.74 | — | — | |
| SCHEMBL1073194 | 0.74 | — | — | |
| SCHEMBL76538 | 0.74 | — | — | |
| SCHEMBL540992 | 0.73 | — | — | |
| SCHEMBL8827222 | 0.73 | — | — |
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-6147242-A | Method of producing silylalkylthiols | DEGUSSA-HULS AG (DE) | 2000-11-14 | — | — | US | disclosed |
| EP-1016668-A2 | Process for preparing silylalkylthiols | Degussa-Hüls Aktiengesellschaft (DE) | 2000-07-05 | — | — | EP | disclosed |