SCHEMBL9704412

SCHEMBL9704412

CCC(OC(C)=O)(OC(C)=O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
ALDH1A1 P00352 7/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 2/20 0.31
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 2/20 0.30
FFAR3 O14843 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL10940978 0.82 GAA (0.46) GAAALDH1A1LMNAHSD17B10TSHR
SCHEMBL6058802 0.78 GAA (0.38) GAAALDH1A1LMNAHSD17B10TDP1
SCHEMBL7590859 0.78 GAA (0.38) GAAALDH1A1LMNAHSD17B10
SCHEMBL2474973 0.75 GAA (0.39) GAAALDH1A1LMNAHSD17B10CYP1A2
SCHEMBL11137054 0.75 ALDH1A1 (0.46) ALDH1A1LMNACYP1A2MEN1THRB
SCHEMBL29135299 0.75 DGAT1 (0.40) GAAALDH1A1LMNAHSD17B10
SCHEMBL25573784 0.75 GAA (0.40) GAAALDH1A1LMNAHSD17B10TSHR
SCHEMBL16965437 0.74 ALDH1A1 (0.35) ALDH1A1CYP1A2MEN1THRBKMT2A
SCHEMBL20610601 0.74 TSHR (0.36) ALDH1A1CYP1A2MEN1THRBKMT2A
SCHEMBL9017716 0.73 GAA (0.38) GAAALDH1A1LMNAHSD17B10CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3353145-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XW Laboratories Inc. (KY) 2018-08-01 EP disclosed
WO-2017049470-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XW LABORATORIES INC. (CN) 2017-03-30 WO disclosed
WO-2017050259-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XW LABORATORIES INC. (KY) 2017-03-30 WO disclosed
US-5141838-A Lithography printing plates FUJI PHOTO FILM CO., LTD. (JP) 1992-08-25 US disclosed
EP-0185248-B1 POLYADDITION OR POLYCONDENSATION PRODUCTS, THEIR AQUEOUS DISPERSIONS AS WELL AS A PHOTOGRAPHIC RECORDING MATERIAL CONTAINING A PHOTOGRAPHIC COMPOUND IN THE FORM OF SUCH POLYMERIC PRODUCTS Agfa-Gevaert AG (DE) 1990-10-03 EP disclosed
EP-0330239-A2 Photosensitive composition FUJI PHOTO FILM CO., LTD. (JP) 1989-08-30 EP disclosed
US-4762777-A NONDIFFUSING AGFA-GEVAERT AG (DE) 1988-08-09 US disclosed
EP-0185248-A2 Polyaddition or polycondensation products, their aqueous dispersions as well as a photographic recording material containing a photographic compound in the form of such polymeric products Agfa-Gevaert AG (DE) 1986-06-25 EP disclosed