SCHEMBL21402309

SCHEMBL21402309

C=COC(CCCOCCCC(OC=C)OCCO)OCCO

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 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
SCHEMBL1179382 0.82 TSHR (0.43) TSHRMAPK1MEN1KMT2ATHRB
SCHEMBL28904770 0.76 ALDH1A1 (0.32) TSHR
SCHEMBL16318547 0.72
SCHEMBL11099712 0.70 TSHR (0.35) TSHRMAPK1MEN1KMT2A
SCHEMBL27578923 0.68 TSHR (0.43) TSHRMAPK1MEN1KMT2ATHRB
SCHEMBL7009678 0.68
SCHEMBL5878438 0.68 TSHR (0.33) TSHRMAPK1MEN1KMT2A
SCHEMBL20357811 0.68 TSHR (0.47) TSHRMAPK1MEN1KMT2ATHRB
SCHEMBL9314209 0.68 TSHR (0.36) TSHR
SCHEMBL431930 0.67 TSHR (0.52) TSHRMAPK1MEN1KMT2ATHRB

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-3545066-A1 CLEANING AGENT COMPOSITIONS CONTAINING COPOLYMER Clariant International Ltd (CH) 2019-10-02 EP disclosed
EP-3545064-A1 COPOLYMERS AND THEIR USE IN DETERGENT COMPOSITIONS Clariant International Ltd (CH) 2019-10-02 EP disclosed
EP-3545065-A1 DISHWASHER DETERGENT CONTAINING A COPOLYMER Clariant International Ltd (CH) 2019-10-02 EP disclosed