⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1470041 | 0.71 | — | — | |
| SCHEMBL15203326 | 0.70 | — | — | |
| SCHEMBL16938282 | 0.67 | — | — | |
| SCHEMBL5182585 | 0.64 | — | — | |
| SCHEMBL27649160 | 0.64 | — | — | |
| SCHEMBL18098779 | 0.62 | — | — | |
| SCHEMBL17898110 | 0.62 | — | — | |
| SCHEMBL16784555 | 0.60 | ALDH1A1 (0.35) | — | |
| SCHEMBL10092153 | 0.60 | — | — | |
| SCHEMBL2109853 | 0.58 | ALDH1A1 (0.30) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0041556-A4 | MERCAPTOORGANOPOLYSILOXANE ELASTOMERS CATALYZED BY METALLIC COMPOUNDS IN THE PRESENCE OF PEROXIDES. | DOW CORNING (US) | 1982-05-10 | — | — | EP | disclosed |
| EP-0041556-A1 | MERCAPTOORGANOPOLYSILOXANE ELASTOMERS CATALYZED BY METALLIC COMPOUNDS IN THE PRESENCE OF PEROXIDES | DOW CORNING CORPORATION (US) | 1981-12-16 | — | — | EP | disclosed |
| WO-1981001559-A1 | MERCAPTOORGANOPOLYSILOXANE ELASTOMERS CATALYZED BY METALLIC COMPOUNDS IN THE PRESENCE OF PEROXIDES | DOW CORNING (US) | 1981-06-11 | — | — | WO | disclosed |
| US-4272623-A | Mercaptoorganopolysiloxane elastomers catalyzed by metallic compounds in the presence of peroxides | DOW CORNING CORPORATION (US) | 1981-06-09 | — | — | US | disclosed |