SCHEMBL90823

SCHEMBL90823

C=CC(=O)OCCOCCOC1CC2CC1C1C3CCC(C3)C21

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.47
ALDH1A1 P00352 3/20 0.47
TP53 P04637 2/20 0.47
HIF1A Q16665 2/20 0.47
HSD17B10 Q99714 1/20 0.47
THRB P10828 2/20 0.36
CYP3A4 P08684 1/20 0.34
HPGD P15428 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
SCHEMBL10085528 0.96 TSHR (0.40) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL14302996 0.96 TSHR (0.40) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL13385125 0.84 TSHR (0.31) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL90821 0.81 TSHR (0.49) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL12511309 0.81
SCHEMBL12879087 0.79 TSHR (0.41) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL10085547 0.79 TSHR (0.43) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL69388 0.77 ATM (0.36)
SCHEMBL22610213 0.76 TSHR (0.41) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL1357269 0.76 TSHR (0.41) 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-8211508-B2 radiation curing ink cures with high sensitivity to form a high quality, durable image resistant to cracking, peeling and has excellent impact resistance, flexibility, and adhesion; cyclic monofunctional acrylic or N-vinyl monomers FUJIFILM CORPORATION (JP) 2012-07-03 US disclosed
US-8147921-B2 Ink set for inkjet recording and inkjet recording method FUJIFILM CORPORATION (JP) 2012-04-03 US disclosed
US-8128843-B2 Photocurable composition, photocurable ink composition, process for producing photocured material, and inkjet recording method FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
US-20110242191-A1 INK COMPOSITION, INKJET RECORDING METHOD AND PROCESS FOR PRODUCING MOLDED PRINTED MATERIAL FUJIFILM CORPORATION (JP) 2011-10-06 US disclosed
US-20100015352-A1 INK-JET INK COMPOSITION, AND INK-JET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-01-21 US disclosed
US-20090186163-A1 PHOTOCURABLE COMPOSITION, PHOTOCURABLE INK COMPOSITION, PROCESS FOR PRODUCING PHOTOCURED MATERIAL, AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2009-07-23 US disclosed