Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3272005 | 0.82 | FFAR3 (0.40) | FFAR3POLBLMNATSHRCYP2C19 | |
| SCHEMBL6265218 | 0.82 | FFAR3 (0.40) | FFAR3POLBLMNATSHRCYP2C19 | |
| Bicarbonate SCHEMBL10668252 | 0.76 | FFAR3 (0.41) | FFAR3LMNATSHRNFKB1CYP2C19 | |
| SCHEMBL19433865 | 0.75 | FFAR3 (0.42) | FFAR3POLBLMNATSHRNFKB1 | |
| Acetic Acid SCHEMBL4356996 | 0.74 | FFAR3 (0.39) | FFAR3TSHRNFKB1CYP2C19 | |
| SCHEMBL3271811 | 0.74 | SMN1; SMN2 (0.38) | POLBLMNA | |
| SCHEMBL29184377 | 0.73 | FFAR3 (0.50) | FFAR3POLBLMNATSHRNFKB1 | |
| SCHEMBL5804349 | 0.73 | FFAR3 (0.52) | FFAR3TSHRNFKB1CYP2C19 | |
| SCHEMBL30148860 | 0.72 | ALDH1A1 (0.33) | FFAR3POLBLMNA | |
| Ammonia Solution, Strong SCHEMBL27985130 | 0.71 | FFAR3 (0.50) | FFAR3TSHRNFKB1CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| 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 | disclosed |
| EP-1743013-B1 | ALICYCLIC CARBOXYLIC ACID OXYCARBONYLMETHYL ESTERS AND THEIR USE AS ODORANTS | GIVAUDAN SA (CH) | 2007-12-19 | — | — | EP | disclosed |
| US-20070225201-A1 | Organic Compounds | GIVAUDAN SA (CH) | 2007-09-27 | — | — | US | disclosed |