SCHEMBL9845978

SCHEMBL9845978

CC(C)CCC(CCO)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.55
SLC1A2 P43004 2/20 0.55
SLC1A1 P43005 1/20 0.55
CHRM1 P11229 1/20 0.48
AKR1A1 P14550 1/20 0.48
CHRM3 P20309 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
ADRA1A P35348 1/20 0.48
HRH1 P35367 1/20 0.48
DRD3 P35462 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
BLM P54132 1/20 0.39
CA2 P00918 1/20 0.37
MAPK1 P28482 1/20 0.37
CPA1 P15085 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL9115232 0.90 SLC1A3 (0.64) SLC1A3SLC1A2SLC1A1CHRM1AKR1A1
SCHEMBL3893901 0.84 CHRM1 (0.55) SLC1A1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL29027487 0.84 TDP1 (0.46) SLC1A3SLC1A2SLC1A1CHRM1AKR1A1
SCHEMBL12973005 0.83 SLC1A1 (0.57) SLC1A3SLC1A2SLC1A1CHRM1AKR1A1
Ammonia Solution, Strong SCHEMBL8998230 0.82 TDP1 (0.52) SLC1A1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL8569389 0.81 SLC1A2 (0.54) SLC1A3SLC1A2SLC1A1CHRM1AKR1A1
SCHEMBL1389492 0.81 CHRM1 (0.76) SLC1A3SLC1A2SLC1A1CHRM1AKR1A1
SCHEMBL5710630 0.81 SLC1A2 (0.55) SLC1A3SLC1A2SLC1A1CHRM1AKR1A1
SCHEMBL2902181 0.79 SLC1A2 (0.53) SLC1A3SLC1A2SLC1A1CHRM1AKR1A1
SCHEMBL5592479 0.79 SLC1A3 (0.59) SLC1A3SLC1A2SLC1A1CHRM1AKR1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11299447-B2 Method for isolating a carboxylic acid from an aqueous solution PURAC BIOCHEM B.V. (NL) 2022-04-12 US disclosed
EP-2794049-B1 METHOD FOR ISOLATING A CARBOXYLIC ACID FROM AN AQUEOUS SOLUTION PURAC BIOCHEM BV (NL) 2018-07-18 EP disclosed
US-20150004663-A1 METHOD FOR ISOLATING A CARBOXYLIC ACID FROM AN AQUEOUS SOLUTION PURAC BIOCHEM B.V. (NL) 2015-01-01 US disclosed
EP-2794049-A1 METHOD FOR ISOLATING A CARBOXYLIC ACID FROM AN AQUEOUS SOLUTION Purac Biochem B.V. (NL) 2014-10-29 EP disclosed
WO-2013093047-A1 METHOD FOR ISOLATING A CARBOXYLIC ACID FROM AN AQUEOUS SOLUTION PURAC BIOCHEM BV (NL) 2013-06-27 WO disclosed
EP-0413368-A1 Bread aroma, production thereof, and use of the same for the aromatisation of foodstuffs and delicacies FÜRSTLICHE BRAUEREI THURN UND TAXIS REGENSBURG GMBH (DE) 1991-02-20 EP disclosed