SCHEMBL24720909

SCHEMBL24720909

N#CCCCC[C@@H](C#N)CC#N

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 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
SCHEMBL1457368 1.00 TSHR (0.44) TSHRALDH1A1TDP1MAPT
SCHEMBL17935688 0.97 TSHR (0.42) TSHRALDH1A1TDP1MAPT
SCHEMBL17935679 0.92 TSHR (0.46) TSHRALDH1A1TDP1MAPT
Nitrous Acid SCHEMBL25424859 0.87 TSHR (0.35) TSHR
SCHEMBL4108693 0.86 TSHR (0.52) TSHRALDH1A1TDP1
SCHEMBL26946504 0.86 TSHR (0.38) TSHR
SCHEMBL25996750 0.86 USP2 (0.37) TSHRALDH1A1MAPT
SCHEMBL17935684 0.86 TSHR (0.43) TSHRALDH1A1TDP1MAPT
SCHEMBL26946514 0.84 TSHR (0.37) TSHR
SCHEMBL17935752 0.83 TSHR (0.42) TSHRALDH1A1TDP1MAPT

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
WO-2022252055-A1 ELECTROCHEMICAL DEVICE AND ELECTRONIC DEVICE 宁德新能源科技有限公司 2022-12-08 WO disclosed