SCHEMBL19999953

SCHEMBL19999953

CCCOCC#CCOCCC#N

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL20364823 0.88 ALDH1A1 (0.39) TSHRALDH1A1TDP1
SCHEMBL1343185 0.85
SCHEMBL21781858 0.83 TSHR (0.43) TSHRALDH1A1TDP1
SCHEMBL20348278 0.83 TSHR (0.43) TSHRALDH1A1TDP1
SCHEMBL21467478 0.79 TSHR (0.46) TSHRALDH1A1TDP1
SCHEMBL25560207 0.79
SCHEMBL26815432 0.79 TSHR (0.46) TSHRALDH1A1TDP1
SCHEMBL2043658 0.78
SCHEMBL9803632 0.77 POLB (0.31) ALDH1A1TDP1
SCHEMBL9803659 0.77 ALDH1A1 (0.30) ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180198157-A1 NON-AQUEOUS ELECTROLYTE ADDITIVE, AND NON-AQUEOUS ELECTROLYTE FOR LITHIUM SECONDARY BATTERY COMPRISING THE SAME AND LITHIUM SECONDARY BATTERY LG CHEM, LTD. (KR) 2018-07-12 US disclosed
EP-3300157-A2 NON-AQUEOUS ELECTROLYTE ADDITIVE, NON-AQUEOUS ELECTROLYTE CONTAINING SAME FOR LITHIUM SECONDARY BATTERY, AND LITHIUM SECONDARY BATTERY LG Chem, Ltd. (KR) 2018-03-28 EP disclosed