⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL292455 | 0.80 | — | — | |
| SCHEMBL291972 | 0.78 | — | — | |
| SCHEMBL291644 | 0.76 | — | — | |
| SCHEMBL9163200 | 0.69 | — | — | |
| SCHEMBL10348336 | 0.69 | — | — | |
| SCHEMBL7362130 | 0.69 | — | — | |
| SCHEMBL11428870 | 0.69 | — | — | |
| SCHEMBL5531636 | 0.69 | — | — | |
| SCHEMBL261418 | 0.69 | — | — | |
| SCHEMBL5847092 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107530591-A | Silicone defoamer composition | 瓦克化学股份公司 | 2018-01-02 | — | — | CN | disclosed |
| US-20100029888-A1 | Click-Reaction Crosslinkable Multicomponent Silicone Compositions | WACKER CHEMIE AG (DE) | 2010-02-04 | — | — | US | disclosed |
| US-5502073-A | INSECTICIDES OR ANTHELMINTICS | THE WELLCOME FOUNDATION (GB) | 1996-03-26 | — | — | US | disclosed |