Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.31 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL3277486 | 1.00 | ALDH1A1 (0.35) | ALDH1A1TDP1GRIK1GRIK2CYP1A2 | |
| SCHEMBL11883282 | 0.79 | ALDH1A1 (0.32) | ALDH1A1TDP1 | |
| SCHEMBL11880477 | 0.79 | ALDH1A1 (0.32) | ALDH1A1TDP1 | |
| SCHEMBL11880484 | 0.79 | ALDH1A1 (0.32) | ALDH1A1TDP1 | |
| SCHEMBL3271237 | 0.76 | ALDH1A1 (0.39) | ALDH1A1TDP1 | |
| SCHEMBL3271234 | 0.76 | ALDH1A1 (0.39) | ALDH1A1TDP1 | |
| SCHEMBL16090829 | 0.76 | ALDH1A1 (0.34) | ALDH1A1TDP1 | |
| SCHEMBL16090826 | 0.76 | ALDH1A1 (0.34) | ALDH1A1TDP1 | |
| SCHEMBL20097985 | 0.75 | LMNA (0.33) | — | |
| SCHEMBL4659117 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| CN-1950490-A | Alicyclic carboxylic acid oxycarbonylmethyl esters and their use as odorants | GIVAUDAN SA (CH) | 2007-04-18 | — | — | CN | disclosed |
| EP-1743013-A1 | ALICYCLIC CARBOXYLIC ACID OXYCARBONYLMETHYL ESTERS AND THEIR USE AS ODORANTS | Givaudan SA (CH) | 2007-01-17 | — | — | EP | disclosed |
| WO-2005108534-A1 | ALICYCLIC CARBOXYLIC ACID OXYCARBONYLMETHYL ESTERS AND THEIR USE AS ODORANTS | GIVAUDAN SA (CH) | 2005-11-17 | — | — | WO | disclosed |