SCHEMBL26535341

SCHEMBL26535341

N#CCCCC(CCCC#N)(CCCC#N)CCCC#N

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 1/20 0.39
LOX P28300 1/20 0.35
LOXL3 P58215 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL25729216 0.94 TSHR (0.41) TSHRALDH1A1TDP1MAPTLOX
SCHEMBL24562820 0.85 MAPT (0.39) TSHRALDH1A1TDP1MAPTLOX
SCHEMBL25728883 0.83 TSHR (0.50) TSHRALDH1A1TDP1MAPT
SCHEMBL25729213 0.83 LOX (0.42) TSHRALDH1A1TDP1MAPTLOX
SCHEMBL17935652 0.79 ALDH1A1 (0.50) TSHRALDH1A1TDP1LOXLOXL3
SCHEMBL3588556 0.75
SCHEMBL1521860 0.75
SCHEMBL25729241 0.75 LOX (0.46) TSHRALDH1A1TDP1LOXLOXL3
SCHEMBL16317922 0.75 ALDH1A1 (0.33) TSHRALDH1A1TDP1
SCHEMBL13423985 0.75 ALDH1A1 (0.33) TSHRALDH1A1TDP1

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-2023184143-A1 ELECTROLYTE, ELECTROCHEMICAL APPARATUS, AND ELECTRONIC APPARATUS 宁德新能源科技有限公司 2023-10-05 WO disclosed