SCHEMBL29263117

SCHEMBL29263117

CCCOC(C)C(=O)O.[LiH]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.37
CHRM1 P11229 1/20 0.37
AKR1A1 P14550 1/20 0.37
CHRM3 P20309 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HSD17B10 Q99714 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
TP53 P04637 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
LMNA P02545 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL9330160 0.98
SCHEMBL5268484 0.98
SCHEMBL446241 0.98
SCHEMBL29263116 0.95 TDP1 (0.37) TDP1CHRM1AKR1A1CHRM3HTR2A
Fluoride SCHEMBL9247618 0.95 TDP1 (0.37) TDP1CHRM1AKR1A1CHRM3HTR2A
Ammonia Solution, Strong SCHEMBL25331296 0.95 TDP1 (0.37) TDP1CHRM1AKR1A1CHRM3HTR2A
Hydrochloric Acid SCHEMBL29283246 0.95 TDP1 (0.37) TDP1CHRM1AKR1A1CHRM3HTR2A
Ethylene Glycol SCHEMBL3738548 0.91 TDP1 (0.34) TDP1CHRM1AKR1A1CHRM3HTR2A
Propionic Acid SCHEMBL9453214 0.91 FFAR3 (0.43) TDP1CHRM1AKR1A1CHRM3HTR2A
Propylene Glycol SCHEMBL3739055 0.87 TDP1 (0.40) TDP1CHRM1AKR1A1CHRM3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118231763-A Electrolyte, lithium ion battery and electric equipment 比亚迪股份有限公司 2024-06-21 CN disclosed