SCHEMBL6571772

SCHEMBL6571772

C=CC(=O)OCC(C)(O)OC

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
TP53 P04637 3/20 0.52
HIF1A Q16665 3/20 0.52
CYP3A4 P08684 2/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TSHR P16473 7/20 0.44
THRB P10828 2/20 0.43
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL30601951 0.84 ALDH1A1 (0.57) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL28517344 0.82 ALDH1A1 (0.53) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL18051653 0.81 ALDH1A1 (0.57) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL1374292 0.81 ALDH1A1 (0.57) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL3146174 0.81 ALDH1A1 (0.57) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL22408837 0.81 ALDH1A1 (0.48) ALDH1A1TP53HIF1ACYP3A4MAPK1
Ethylene Glycol SCHEMBL21295893 0.79 ALDH1A1 (0.56) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL17679264 0.79 ALDH1A1 (0.55) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL28092251 0.79 ALDH1A1 (0.55) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL39919 0.79 ALDH1A1 (0.59) ALDH1A1TP53HIF1ACYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5194459-A FLUOROPOLYMER INSULATING MATERIAL CONTAINING HOLLOW MICROSPHERES JUNKOSHA CO., LTD. (JP) 1993-03-16 US claimed
EP-0441159-A2 Fluoropolymer insulating material containing hollow microspheres JUNKOSHA CO. LTD. (JP) 1991-08-14 EP claimed
EP-0752612-B1 Electrochromic device NIPPON MITSUBISHI OIL CORP (JP) 2004-04-21 EP disclosed
US-6024895-A COMPRISING SOLUBLE, ELECTRICALLY CONDUCTING POLYMER HAVING SULFONIC ACID GROUP AND/OR CARBOXYL GROUP AND THERMALLY CROSS-LINKABLE OR ULTRAVIOLET- OR ELECTRON BEAM-CROSS-LINKABLE RESIN OR PAINT MITSUBISHI RAYON CO., LTD. (JP) 2000-02-15 US disclosed
US-5859722-A Electrochromic device NIPPOM OIL CO., LTD (JP) 1999-01-12 US disclosed
EP-0844284-A1 CROSS-LINKABLE CONDUCTIVE COMPOSITION, CONDUCTOR, AND PROCESS FOR FORMING THE SAME NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1998-05-27 EP disclosed
EP-0837112-A2 Cross-linkable, electrically conductive composition, electric conductor and process for forming the same NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1998-04-22 EP disclosed
EP-0752612-A1 Electrochromic device NIPPON OIL CO., LTD. (JP) 1997-01-08 EP disclosed