SCHEMBL8596807

SCHEMBL8596807

CCOC(=O)C(C)O.CCOC(=O)CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
ALDH1A1 P00352 5/20 0.43
TRPA1 O75762 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38
HSD17B10 Q99714 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.36
ALOX15 P16050 3/20 0.36
KMT2A Q03164 2/20 0.36
CYP3A4 P08684 2/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SOAT1 P35610 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35

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
Propionic Acid SCHEMBL29156529 0.92 MGAM (0.40) MGAMGAASIMGAM2ALDH1A1
Lactic Acid SCHEMBL8518304 0.87 TP53 (0.48) MGAMGAASIMGAM2ALDH1A1
Propylene Glycol SCHEMBL7930115 0.86 TDP1 (0.48) MGAMGAASIMGAM2ALDH1A1
Alcohol SCHEMBL2046416 0.86 ALDH1A1 (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL29615225 0.86
SCHEMBL471892 0.86 ALDH1A1 (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL284806 0.86
SCHEMBL22598 0.86
SCHEMBL344175 0.86
SCHEMBL28087811 0.85 CYP19A1 (0.40) MGAMGAASIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114588861-B Furanone preparation system and furanone preparation method 宁夏万香源生物科技有限公司 2024-04-26 CN disclosed
EP-0532120-B1 Process for the preparation of 4-hydroxy-3(2H)furanones TASTEMAKER BV (NL) 1998-01-07 EP disclosed
US-5412121-A Process for the preparation of 4-hydroxy-3[2H]furanones TASTEMAKER (US) 1995-05-02 US disclosed
EP-0532120-A1 Process for the preparation of 4-hydroxy-3(2H)furanones Tastemaker B.V. (NL) 1993-03-17 EP disclosed
US-4189439-A FLAVORANTS POLAK'S FRUTAL WORKS, B.V. (NL) 1980-02-19 US disclosed
US-4127592-A Process of the preparation of hydroxyfurenones POLAK'S FRUTAL WORKS, B.V. (NL) 1978-11-28 US disclosed
US-3970698-A Hydroxy ether carboxylates MONSANTO COMPANY (US) 1976-07-20 US disclosed