SCHEMBL6674982

SCHEMBL6674982

CCOC(=O)C(=O)[C@H](C)CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GLO1 Q04760 1/20 0.40
TSHR P16473 1/20 0.39
ALOX15 P16050 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SOAT1 P35610 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38
MAPT P10636 1/20 0.36
TRPA1 O75762 1/20 0.36
CYP2D6 P10635 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GPR35 Q9HC97 1/20 0.34

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
SCHEMBL6676758 1.00 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10NPSR1GLO1
SCHEMBL1088298 1.00 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10NPSR1GLO1
SCHEMBL31491172 0.82 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10NPSR1GLO1
SCHEMBL28032709 0.81 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10NPSR1GLO1
SCHEMBL1301908 0.80 EGLN1 (0.42) ALDH1A1LMNAHSD17B10NPSR1GLO1
SCHEMBL166879 0.80 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10NPSR1GLO1
SCHEMBL3569653 0.79 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10NPSR1GLO1
SCHEMBL15619769 0.79 SOAT1 (0.32) TSHRSOAT1
SCHEMBL12041111 0.78 NPSR1 (0.32) ALDH1A1LMNAHSD17B10NPSR1GLO1
SCHEMBL1087838 0.78 HSD17B10 (0.38) ALDH1A1LMNAHSD17B10TSHREGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4514477-A1 FRAGRANCE COMPOSITIONS HAVING LONG-LASTING TRAIL PERFORMANCE Firmenich SA (CH) 2025-03-05 EP claimed
EP-0921186-B1 Use of ethyl 3-methyl-2-oxopentanoate as a perfuming ingredient FIRMENICH & CIE (CH) 2004-11-03 EP claimed
US-12497577-B2 Method of countering malodour in a washing machine comprising the addition of a fragrance precursor GIVAUDAN SA (CH) 2025-12-16 US disclosed
EP-4551185-A1 FRAGRANCE COMPOSITIONS CONTAINING 2,3-BUTANEDIOL AND/OR 1,3-BUTANEDIOL Firmenich SA (CH) 2025-05-14 EP disclosed
EP-4514477-A1 FRAGRANCE COMPOSITIONS HAVING LONG-LASTING TRAIL PERFORMANCE Firmenich SA (CH) 2025-03-05 EP disclosed
US-20240309296-A1 METHOD OF COUNTERING MALODOUR IN A WASHING MACHINE COMPRISING THE ADDITION OF A FRAGRANCE PRECURSOR GIVAUDAN SA (CH) 2024-09-19 US disclosed
EP-4338761-A1 PERFUMING COMPOSITIONS Firmenich SA (CH) 2024-03-20 EP disclosed
WO-2024046768-A1 FRAGRANCE COMPOSITIONS CONTAINING 2,3-BUTANEDIOL AND/OR 1,3-BUTANEDIOL FIRMENICH SA (CH) 2024-03-07 WO disclosed
US-6159929-A Optically active esters and their use as perfuming ingredients FIRMENICH SA (CH) 2000-12-12 US disclosed
US-5952292-A ENANTIOMORPHS; UNUSUAL FRUITY ODOR DESCRIBED AS A FRESH WALNUT ODOR TOGETHER WITH A RUM TYPE NOTE; COLOGNES; AFTER-SHAVE LOTIONS; COSMETICS; DETERGENTS; BATH SOAPS AND GELS; SHAMPOO FIRMENICH S.A. (CH) 1999-09-14 US disclosed