⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL786977 | 0.69 | — | — | |
| SCHEMBL4731998 | 0.67 | — | — | |
| SCHEMBL28426052 | 0.65 | — | — | |
| SCHEMBL231464 | 0.64 | — | — | |
| SCHEMBL1448305 | 0.64 | — | — | |
| SCHEMBL12253281 | 0.63 | — | — | |
| SCHEMBL21485126 | 0.61 | CA2 (0.56) | — | |
| SCHEMBL2116254 | 0.60 | — | — | |
| Isopropyl Alcohol SCHEMBL3361371 | 0.60 | ALDH1A1 (0.40) | — | |
| Isopropyl Alcohol SCHEMBL6629607 | 0.60 | ALDH1A1 (0.40) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102051120-A | Super-hydrophobic coating material, preparation method thereof and super-hydrophobic coating | HENKEL AG & CO KGAA | 2011-05-11 | — | — | CN | claimed |
| CN-101892115-A | Release agent and application thereof | HENKEL CHINA INVEST CO LTD | 2010-11-24 | — | — | CN | claimed |
| CN-102051120-A | Super-hydrophobic coating material, preparation method thereof and super-hydrophobic coating | HENKEL AG & CO KGAA | 2011-05-11 | — | — | CN | disclosed |
| CN-101892115-A | Release agent and application thereof | HENKEL CHINA INVEST CO LTD | 2010-11-24 | — | — | CN | disclosed |
| WO-2008090458-A1 | AQUEOUS SILYLATED POLYMER EMULSION AND ITS PREPARATION METHOD AND USES THEREOF | HENKEL KGAA (DE) | 2008-07-31 | — | — | WO | disclosed |
| CN-101230138-A | Aqueous siliconiting polymer emulsion as well as preparation method and use thereof | HENKEL MAN AG (DE) | 2008-07-30 | — | — | CN | disclosed |