SCHEMBL22829484

SCHEMBL22829484

C=CC(=O)OCCOCCOC(C)OCCOC(=O)C=C

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.70
ALDH1A1 P00352 5/20 0.70
TP53 P04637 3/20 0.70
HIF1A Q16665 3/20 0.70
HSD17B10 Q99714 1/20 0.70
THRB P10828 4/20 0.53
HPGD P15428 1/20 0.48
CYP3A4 P08684 2/20 0.48
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL15495137 1.00 TSHR (0.70) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL32689960 0.94 TSHR (0.59) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL11329528 0.93 TSHR (0.61) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL19881815 0.93 TSHR (0.61) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL13398343 0.91 TSHR (0.63) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL11314768 0.91 TSHR (0.63) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL21443918 0.91 TSHR (0.58) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL22852503 0.91 TSHR (0.58) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL28986661 0.90 TSHR (0.61) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL21083387 0.89 TSHR (0.56) TSHRALDH1A1TP53HIF1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220267908-A1 Radiation Curable Inkjet Ink for Alkaline Etching or Plating Applications AGFA-GEVAERT NV (BE) 2022-08-25 US disclosed
EP-3757174-B1 RADIATION CURABLE INKJET INK FOR ALKALINE ETCHING OR PLATING APPLICATIONS AGFA GEVAERT NV (BE) 2022-04-20 EP disclosed
EP-3757174-A1 RADIATION CURABLE INKJET INK FOR ALKALINE ETCHING OR PLATING APPLICATIONS AGFA-GEVAERT NV (BE) 2020-12-30 EP disclosed
EP-3757175-A1 RADIATION CURABLE INKJET INK FOR ALKALINE ETCHING OR PLATING APPLICATIONS AGFA-GEVAERT NV (BE) 2020-12-30 EP disclosed
WO-2020260008-A1 RADIATION CURABLE INKJET INK FOR ALKALINE ETCHING OR PLATING APPLICATIONS AGFA-GEVAERT NV (BE) 2020-12-30 WO disclosed
WO-2020260004-A1 RADIATION CURABLE INKJET INK FOR ALKALINE ETCHING OR PLATING APPLICATIONS AGFA-GEVAERT NV (BE) 2020-12-30 WO disclosed