SCHEMBL4542988

SCHEMBL4542988

CC(CC(=O)O)CC(O)O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.42
CACNA2D1 P54289 2/20 0.41
CACNB3 P54284 1/20 0.41
CACNA1C Q13936 1/20 0.41
PGR P06401 1/20 0.41
ADRA1A P35348 1/20 0.41
HTR2B P41595 1/20 0.41
CACNA2D2 Q9NY47 1/20 0.41
MAPT P10636 1/20 0.39
GABRR1 P24046 2/20 0.39
LMNA P02545 1/20 0.39
BHMT Q93088 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 1/20 0.36
GPR84 Q9NQS5 4/20 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
SCHEMBL14359978 0.86 CACNA2D1 (0.46) SLC22A6SMN1; SMN2CACNA2D1CACNB3CACNA1C
SCHEMBL27898435 0.84 SLC22A6 (0.46) SLC22A6SMN1; SMN2CACNA2D1CACNB3CACNA1C
SCHEMBL18113005 0.84 SLC22A6 (0.46) SLC22A6SMN1; SMN2CACNA2D1CACNB3CACNA1C
SCHEMBL11610400 0.84 SLC22A6 (0.52) SLC22A6SMN1; SMN2CACNA2D1CACNB3CACNA1C
SCHEMBL5536469 0.81 CACNA2D1 (0.54) SLC22A6SMN1; SMN2CACNA2D1CACNB3CACNA1C
SCHEMBL968570 0.81 CACNA2D1 (0.54) SLC22A6SMN1; SMN2CACNA2D1CACNB3CACNA1C
SCHEMBL258152 0.80 SLC22A6 (0.50) SLC22A6SMN1; SMN2CACNA2D1CACNB3CACNA1C
SCHEMBL13917554 0.79 ALDH1A1 (0.50) TDP1TP53
SCHEMBL3783223 0.79 CACNA2D1 (0.52) SLC22A6SMN1; SMN2CACNA2D1CACNB3CACNA1C
Ammonia Solution, Strong SCHEMBL28027924 0.79 CACNA2D1 (0.52) SLC22A6SMN1; SMN2CACNA2D1CACNB3CACNA1C

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114686092-A Photocureable coating capable of being used for metal protection and preparation method thereof 中海油常州涂料化工研究院有限公司 2022-07-01 CN claimed
CN-101041650-A Synthesizing of 3,5-dihydroxy-3-methyl valerolactone XUZHOU RUISAI TECHNOLOGY INDUS (CN) 2007-09-26 CN claimed
CN-114686092-A Photocureable coating capable of being used for metal protection and preparation method thereof 中海油常州涂料化工研究院有限公司 2022-07-01 CN disclosed
US-20200208180-A1 PROCESSING BIOMASS TO OBTAIN HYDROXYLCARBOXYLIC ACIDS XYLECO, INC. (US) 2020-07-02 US disclosed
US-10501761-B2 Processing biomass to obtain hydroxylcarboxylic acids XYLECO, INC. (US) 2019-12-10 US disclosed
EP-3559166-A1 METHOD FOR THE HYDROGENATION OF AROMATICS USING A NICKEL-BASED CATALYST IFP Energies nouvelles (FR) 2019-10-30 EP disclosed
US-20190322800-A1 PROCESSING HYDROXY-CARBOXYLIC ACIDS TO POLYMERS XYLECO, INC. (US) 2019-10-24 US disclosed
US-10174160-B2 Processing hydroxy-carboxylic acids to polymers XYLECO, INC. (US) 2019-01-08 US disclosed
US-20160076062-A1 PROCESSING BIOMASS TO OBTAIN HYDROXYLCARBOXYLIC ACIDS XYLECO, INC. 2016-03-17 US disclosed
US-20160060386-A1 PROCESSING HYDROXY-CARBOXYLIC ACIDS TO POLYMERS XYLECO, INC. 2016-03-03 US disclosed
CN-105247060-A Processing biomass to obtain hydroxycarboxylic acids XYLECO INC 2016-01-13 CN disclosed
EP-1651695-A1 PHOTOCROSSLINKABLE POLYURETHANES Huntsman Advanced Materials (Switzerland) GmbH (CH) 2006-05-03 EP disclosed
CN-1622937-A Process for the manufacture of HMG-coa reductase inhibitors NOVARTIS AG (CH) 2005-06-01 CN disclosed
CN-1584010-A Process for producing Sporidiobolus ruineniae strains with improved coenzyme Q10 production CONSORTIUM ELEKTROCHEM IND (DE) 2005-02-23 CN disclosed
WO-2005014682-A1 PHOTOCROSSLINKABLE POLYURETHANES HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2005-02-17 WO disclosed
CN-1106840-C Naringin and naringenin as 3-hydroxy-3-methylglutaryl CoA (HMG-CoA) reductase inhibitor KOREA INST SCI & TECH (KR) 2003-04-30 CN disclosed
CN-1104897-C Hesperidin and hesperetin as 3-hydroxy-3-methylglutaryl CoA (HMG-CoA) reductase inhibitor KOREA INST SCI & TECH (KR) 2003-04-09 CN disclosed
CN-1233174-A Naringin and naringenin as 3-hydroxy-3-methylglutaryl coenzyme A (HMG-CoA) reductase inhibitors KOREA INST SCI & TECH (KR) 1999-10-27 CN disclosed
CN-1233182-A Citrus peel extract as 3-hydroxy-3-methyl glutaryl-CoA (HMG-CoA) reductase inhibitor KOREA INST SCI & TECH (KR) 1999-10-27 CN disclosed
CN-1233175-A Hesperidin and hesperetin as 3-hydroxy-3-methylglutaryl CoA (HMG-CoA) reductase inhibitor KOREA INST SCI & TECH (KR) 1999-10-27 CN disclosed