SCHEMBL2995189

SCHEMBL2995189

CCCC(=O)OCC(C)(C)OC(C)C=CC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.30
MAPT P10636 1/20 0.30

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL2941522 0.88
SCHEMBL5077413 0.77 ADRB2 (0.34) ALDH1A1TSHRMAPT
SCHEMBL2941520 0.77 ADRB2 (0.34) ALDH1A1TSHRMAPT
SCHEMBL2942493 0.74 NAAA (0.30)
SCHEMBL2944213 0.72 ALDH1A1 (0.32) ALDH1A1
SCHEMBL2944968 0.72 ALDH1A1 (0.33) ALDH1A1MAPT
SCHEMBL5076659 0.70
SCHEMBL3203892 0.67 ALDH1A1 (0.50) ALDH1A1TSHRMAPT
SCHEMBL517466 0.67 ALDH1A1 (0.50) ALDH1A1TSHRMAPT
SCHEMBL8921697 0.67 ALDH1A1 (0.50) ALDH1A1TSHRMAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4518957-B2 2010-08-04 JP claimed
US-7384906-B2 Aliphatic compounds as fragrants with musk characteristics GIVANDAN SA (CH) 2008-06-10 US claimed
EP-1565420-B1 ALIPHATIC COMPOUNDS AS FRAGRANTS WITH MUSK CHARACTERISTICS GIVAUDAN SA (CH) 2006-10-18 EP claimed
US-20060052277-A1 Aliphatic compounds as fragrants with musk characteristics GIVAUDAN SA (CH) 2006-03-09 US claimed
EP-1565420-A1 ALIPHATIC COMPOUNDS AS FRAGRANTS WITH MUSK CHARACTERISTICS Givaudan SA (CH) 2005-08-24 EP claimed
WO-2004050595-A1 ALIPHATIC COMPOUNDS AS FRAGRANTS WITH MUSK CHARACTERISTICS GIVAUDAN SA (CH) 2004-06-17 WO claimed
US-7384906-B2 Aliphatic compounds as fragrants with musk characteristics GIVANDAN SA (CH) 2008-06-10 US disclosed
EP-1565420-B1 ALIPHATIC COMPOUNDS AS FRAGRANTS WITH MUSK CHARACTERISTICS GIVAUDAN SA (CH) 2006-10-18 EP disclosed
US-20060052277-A1 Aliphatic compounds as fragrants with musk characteristics GIVAUDAN SA (CH) 2006-03-09 US disclosed