Predicted protein targets (top 2)
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 | |
|---|---|---|---|---|
| SCHEMBL3273074 | 0.89 | CYP2C19 (0.41) | CYP2C19NAAA | |
| SCHEMBL3277214 | 0.85 | TSHR (0.35) | — | |
| SCHEMBL3276519 | 0.83 | CYP1A2 (0.35) | CYP2C19 | |
| SCHEMBL3271811 | 0.79 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL3273241 | 0.73 | TSHR (0.36) | — | |
| SCHEMBL3270369 | 0.71 | ALDH1A1 (0.41) | — | |
| SCHEMBL3277864 | 0.67 | CYP2C19 (0.33) | CYP2C19NAAA | |
| SCHEMBL3271637 | 0.65 | FFAR3 (0.37) | CYP2C19 | |
| SCHEMBL778224 | 0.65 | ALDH1A1 (0.42) | CYP2C19NAAA | |
| SCHEMBL4677071 | 0.62 | NAAA (0.49) | CYP2C19NAAA |
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 |
|---|---|---|---|---|---|---|---|
| US-7687452-B2 | 2-(3,3-dimethylcyclohexyl)propionic acid ethoxycarbonylmethyl ester; 1,5,5-trimethylspiro[2.5]octane-1-carboxylic acid ethoxycarbonylmethyl ester; new powerful musk odorants | GIVAUDAN SA (CH) | 2010-03-30 | — | — | US | claimed |
| EP-1743013-B1 | ALICYCLIC CARBOXYLIC ACID OXYCARBONYLMETHYL ESTERS AND THEIR USE AS ODORANTS | GIVAUDAN SA (CH) | 2007-12-19 | — | — | EP | claimed |
| US-20070225201-A1 | Organic Compounds | GIVAUDAN SA (CH) | 2007-09-27 | — | — | US | claimed |
| EP-1743013-B1 | ALICYCLIC CARBOXYLIC ACID OXYCARBONYLMETHYL ESTERS AND THEIR USE AS ODORANTS | GIVAUDAN SA (CH) | 2007-12-19 | — | — | EP | disclosed |