SCHEMBL195161

SCHEMBL195161

C=C(C=CC#N)C(=O)OCCCC.C=CCCC(=C)C(=O)OCC1CO1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ATM Q13315 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
SCHEMBL94007 0.86 ALDH1A1 (0.54) ALDH1A1HPGDTSHRSMN1; SMN2ATM
Itaconate SCHEMBL10777838 0.80 ALDH1A1 (0.46) ALDH1A1TSHRSMN1; SMN2
Acrylonitrile SCHEMBL28670064 0.78 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2
SCHEMBL2259513 0.77 ATM (0.50) ALDH1A1HPGDTSHRATM
SCHEMBL3385358 0.77 ALDH1A1 (0.56) ALDH1A1
Acrylic Acid SCHEMBL7172352 0.77 ALDH1A1 (0.47) ALDH1A1
Butadiene SCHEMBL9419686 0.76 TSHR (0.47) ALDH1A1HPGDTSHRATM
SCHEMBL10762790 0.75 TSHR (0.50) ALDH1A1HPGDTSHRSMN1; SMN2ATM
Acrylic Acid SCHEMBL17387529 0.74 TSHR (0.49) ALDH1A1HPGDTSHRATM
1,1-Dichloroethene SCHEMBL8510976 0.74 ATM (0.46) ALDH1A1HPGDTSHRATM

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
EP-2403038-B1 ELECTRODE FOR LITHIUM-ION SECONDARY BATTERY ZEON CORP (JP) 2017-09-20 EP disclosed
US-8822074-B2 Electrode for lithium-ion secondary battery ZEON CORPORATION (JP) 2014-09-02 US disclosed
EP-2403038-A1 ELECTRODE FOR LITHIUM-ION SECONDARY BATTERY Zeon Corporation (JP) 2012-01-04 EP disclosed