⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2231395 | 0.80 | KDM4E (0.33) | — | |
| SCHEMBL2243775 | 0.78 | — | — | |
| SCHEMBL2246632 | 0.76 | KDM4E (0.31) | — | |
| SCHEMBL21203188 | 0.71 | TSHR (0.39) | — | |
| SCHEMBL6136617 | 0.71 | TSHR (0.39) | — | |
| SCHEMBL4061686 | 0.70 | CA12 (0.31) | — | |
| SCHEMBL29953628 | 0.69 | — | — | |
| SCHEMBL2247231 | 0.68 | ADH1A (0.38) | — | |
| SCHEMBL3650063 | 0.68 | KCNA5 (0.31) | — | |
| SCHEMBL340966 | 0.67 | MEN1 (0.41) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101778814-B | There is the aldehyde of hydroxyl | SIKA技术股份公司 | 2016-08-03 | — | — | CN | disclosed |
| US-8389772-B2 | Aldehydes containing hydroxl groups | SIKA TECHNOLOGY AG (CH) | 2013-03-05 | — | — | US | disclosed |
| US-20110195242-A1 | ALDEHYDES CONTAINING HYDROXL GROUPS | SIKA TECHNOLOGY AG (CH) | 2011-08-11 | — | — | US | disclosed |
| CN-101778814-A | aldehydes containing hydroxyl groups | SIKA TECHNOLOGY AG | 2010-07-14 | — | — | CN | disclosed |
| EP-2030965-A1 | Aldehydes containing hydroxyl groups | Sika Technology AG (CH) | 2009-03-04 | — | — | EP | disclosed |