SCHEMBL16708653

SCHEMBL16708653

C=C(C#N)C(=O)OCC1COC(=O)O1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.34
MAPK1 P28482 1/20 0.34
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL231291 0.81 ALDH1A1 (0.63) ALDH1A1TSHRL3MBTL1MAPK1CYP3A4
SCHEMBL3150739 0.80 ALDH1A1 (0.61) ALDH1A1TSHRCYP3A4
SCHEMBL10480854 0.78 ALDH1A1 (0.41) ALDH1A1TSHRL3MBTL1MAPK1CYP3A4
SCHEMBL16708630 0.78 ALDH1A1 (0.44) ALDH1A1TSHRL3MBTL1MAPK1CYP3A4
SCHEMBL16018493 0.77 ALDH1A1 (0.45) ALDH1A1TSHRL3MBTL1MAPK1CYP3A4
SCHEMBL16708627 0.77 ALDH1A1 (0.40) ALDH1A1TSHRL3MBTL1MAPK1CYP3A4
SCHEMBL18793088 0.77 ALDH1A1 (0.43) ALDH1A1TSHRL3MBTL1MAPK1CYP3A4
SCHEMBL10480855 0.77 ALDH1A1 (0.40) ALDH1A1TSHRL3MBTL1MAPK1CYP3A4
SCHEMBL14169000 0.77 L3MBTL1 (0.36) ALDH1A1L3MBTL1MAPK1
SCHEMBL9644015 0.76 L3MBTL1 (0.38) ALDH1A1TSHRL3MBTL1MAPK1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210363393-A1 ADHESIVE COMPOSITION THAT EASILY DISINTEGRATES IN WATER TOAGOSEI CO., LTD. (JP) 2021-11-25 US disclosed
EP-3750961-A1 ADHESIVE COMPOSITION THAT EASILY DISINTEGRATES IN WATER Toagosei Co., Ltd. (JP) 2020-12-16 EP disclosed
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