SCHEMBL16708647

SCHEMBL16708647

C=C(OC(C)=O)C(=O)OCCC#N

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 4/20 0.35
ALDH1A1 P00352 2/20 0.35
THRB P10828 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL16708633 0.81 TSHR (0.37) TSHRALDH1A1THRBMEN1KMT2A
SCHEMBL33780 0.81 THRB (0.52) TDP1TSHRALDH1A1THRBMEN1
SCHEMBL28487698 0.80 ALDH1A1 (0.48) HSD17B10TSHRALDH1A1THRBMEN1
Acetic Acid SCHEMBL28158415 0.78 THRB (0.48) TDP1TSHRALDH1A1THRBMEN1
Propionic Acid SCHEMBL28009092 0.77 THRB (0.49) TDP1TSHRALDH1A1THRBMEN1
SCHEMBL16708652 0.77 THRB (0.57) HSD17B10TDP1TSHRALDH1A1THRB
SCHEMBL5027284 0.77 TSHR (0.46) HSD17B10TDP1TSHRALDH1A1THRB
Methacrylic Acid SCHEMBL10424224 0.76 THRB (0.47) TDP1TSHRALDH1A1THRBMEN1
Methacrylic Acid SCHEMBL9453881 0.76 THRB (0.47) TDP1TSHRALDH1A1THRBMEN1
Cyanamide SCHEMBL28026068 0.76 THRB (0.47) TDP1TSHRALDH1A1THRBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10312546-B2 Non-aqueous liquid electrolyte for secondary battery and secondary battery FUJIFILM CORPORATION (JP) 2019-06-04 US disclosed
US-20150132639-A1 NON-AQUEOUS LIQUID ELECTROLYTE FOR SECONDARY BATTERY AND SECONDARY BATTERY FUJIFILM CORPORATION (JP) 2015-05-14 US disclosed
US-20150132639-A1 NON-AQUEOUS LIQUID ELECTROLYTE FOR SECONDARY BATTERY AND SECONDARY BATTERY FUJIFILM CORPORATION (JP) 2015-05-14 US disclosed