⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31307191 | 0.85 | TSHR (0.35) | — | |
| SCHEMBL3689226 | 0.85 | ALDH1A1 (0.30) | — | |
| SCHEMBL4454855 | 0.83 | CES1 (0.34) | — | |
| SCHEMBL98072 | 0.82 | CES2 (0.36) | — | |
| SCHEMBL4457552 | 0.81 | TDP1 (0.30) | — | |
| SCHEMBL96954 | 0.81 | CES2 (0.38) | — | |
| SCHEMBL75725 | 0.81 | CES2 (0.38) | — | |
| SCHEMBL4968748 | 0.81 | CES2 (0.38) | — | |
| SCHEMBL21049760 | 0.81 | CES2 (0.38) | — | |
| SCHEMBL21049765 | 0.81 | CES2 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1869057-A2 | AQUEOUS CATALYTIC PROCESS FOR THE PREPARATION OF THIOCARBOXYLATE SILANE | General Electric Company (US) | 2007-12-26 | — | — | EP | claimed |
| WO-2006113122-A2 | AQUEOUS CATALYTIC PROCESS FOR THE PREPARATION OF THIOCARBOXYLATE SILANE | GENERAL ELECTRIC COMPANY (US) | 2006-10-26 | — | — | WO | claimed |