SCHEMBL20816993

SCHEMBL20816993

C[CH]CC(C(=O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 7/20 0.40
GRIK2 Q13002 7/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
TP53 P04637 1/20 0.35
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL2917234 0.79 GRIK1 (0.54) GRIK1GRIK2FNTAFNTBTP53
SCHEMBL11857180 0.79 GRIK1 (0.54) GRIK1GRIK2FNTAFNTBTP53
SCHEMBL6176753 0.77
SCHEMBL9116509 0.77
SCHEMBL3910421 0.76 FNTA (0.39) GRIK1GRIK2FNTAFNTBTP53
SCHEMBL3910423 0.76 FNTA (0.39) GRIK1GRIK2FNTAFNTBTP53
SCHEMBL1162120 0.71 FNTA (0.37) GRIK1GRIK2FNTAFNTBTDP1
Propene SCHEMBL11462760 0.71 OR51E2 (0.40) GRIK1GRIK2TP53
SCHEMBL10871217 0.71 GRIK1 (0.47) GRIK1GRIK2FNTAFNTB
Propene SCHEMBL10375990 0.71 OR51E2 (0.40) GRIK1GRIK2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10781410-B2 Composition for surface treatment and method for surface treatment using the same FUJIMI INCORPORATED (JP) 2020-09-22 US disclosed
WO-2019181269-A1 GERMANIUM DISSOLUTION INHIBITOR 株式会社フジミインコーポレーテッド 2019-09-26 WO disclosed
US-20190085271-A1 COMPOSITION FOR SURFACE TREATMENT AND METHOD FOR SURFACE TREATMENT USING THE SAME FUJIMI INCORPORATED (JP) 2019-03-21 US disclosed