SCHEMBL16708633

SCHEMBL16708633

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

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
THRB P10828 1/20 0.32

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
SCHEMBL28487698 0.83 ALDH1A1 (0.48) TSHRALDH1A1MEN1KMT2ATHRB
SCHEMBL16708647 0.81 HSD17B10 (0.35) TSHRALDH1A1MEN1KMT2ATHRB
SCHEMBL22616053 0.80 TSHR (0.34) TSHRALDH1A1MEN1KMT2ATHRB
SCHEMBL33780 0.80 THRB (0.52) TSHRALDH1A1MEN1KMT2ATHRB
SCHEMBL7178834 0.79 ALDH1A1 (0.53) TSHRALDH1A1MEN1KMT2ATHRB
SCHEMBL25237284 0.79 MEN1 (0.39) TSHRALDH1A1MEN1KMT2A
SCHEMBL2776281 0.78 TSHR (0.36) TSHRALDH1A1MEN1KMT2ATHRB
Acetic Acid SCHEMBL28158415 0.77 THRB (0.48) TSHRALDH1A1MEN1KMT2ATHRB
SCHEMBL28039568 0.77 THRB (0.44) TSHRALDH1A1MEN1KMT2ATHRB
SCHEMBL11127704 0.76 ALDH1A1 (0.59) TSHRALDH1A1MEN1KMT2ATHRB

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