SCHEMBL24624355

SCHEMBL24624355

N#CCCCP(=O)(CCCC#N)CCCP(=O)(CCCC#N)CCCC#N

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP3A4 P08684 1/20 0.36
TYMS P04818 1/20 0.30
LOX P28300 1/20 0.30
LOXL3 P58215 1/20 0.30
LOXL2 Q9Y4K0 1/20 0.30
TRPM8 Q7Z2W7 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL24624078 0.97 TSHR (0.41) TSHRALDH1A1TDP1CYP3A4LOX
SCHEMBL24624354 0.94 TSHR (0.39) TSHRALDH1A1TDP1CYP3A4LOX
SCHEMBL24624077 0.92 TSHR (0.38) TSHRALDH1A1TDP1
SCHEMBL24624076 0.92 TSHR (0.38) TSHRALDH1A1TDP1
SCHEMBL24624359 0.89 ALDH1A1 (0.37) TSHRALDH1A1TDP1CYP3A4TYMS
SCHEMBL24624360 0.89 ALDH1A1 (0.37) TSHRALDH1A1TDP1CYP3A4TYMS
SCHEMBL24624046 0.86 ALDH1A1 (0.35) TSHRALDH1A1TDP1CYP3A4
SCHEMBL24624079 0.84 TSHR (0.36) TSHRALDH1A1TDP1TRPM8MAPT
SCHEMBL24623961 0.82 TSHR (0.46) TSHRALDH1A1TDP1TRPM8
SCHEMBL11018515 0.82 TSHR (0.52) TSHRTRPM8

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
US-20220223914-A1 ELECTROLYTE, ELECTROCHEMICAL DEVICE, AND ELECTRONIC DEVICE NINGDE AMPEREX TECHNOLOGY LIMITED (CN) 2022-07-14 US disclosed