SCHEMBL29156604

SCHEMBL29156604

N#CCCC(F)C(F)C#N

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL29025319 0.76
SCHEMBL28236300 0.72
SCHEMBL5217870 0.71
SCHEMBL19988826 0.69
SCHEMBL23130685 0.67
SCHEMBL6593341 0.67
SCHEMBL11295902 0.67
SCHEMBL19988820 0.66
SCHEMBL28461050 0.65
SCHEMBL17935656 0.65 TSHR (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116014243-A Additive for lithium battery electrolyte, lithium battery electrolyte and lithium battery 华鼎国联动力电池有限公司 2023-04-25 CN claimed
CN-116014243-A Additive for lithium battery electrolyte, lithium battery electrolyte and lithium battery 华鼎国联动力电池有限公司 2023-04-25 CN disclosed