SCHEMBL6570872

SCHEMBL6570872

C=CC(=O)OC(C)(C)COC(C)(C)CO

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TP53 P04637 3/20 0.44
HIF1A Q16665 3/20 0.44
CYP3A4 P08684 2/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 6/20 0.35
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL1374290 0.86 ALDH1A1 (0.47) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL12835641 0.85 ALDH1A1 (0.38) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL20060321 0.84 ALDH1A1 (0.47) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL14000138 0.80 ALDH1A1 (0.35) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL24711395 0.80 ALDH1A1 (0.35) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL18746212 0.80 THRB (0.44) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL23619044 0.80 THRB (0.44) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL22563728 0.79 ALDH1A1 (0.53) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL14509386 0.79 ALDH1A1 (0.39) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL25382779 0.77 ALDH1A1 (0.38) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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