SCHEMBL1142076

SCHEMBL1142076

COCCOC(=O)NNC(=O)OCCOC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
ACHE P22303 8/20 0.41
ALDH1A1 P00352 3/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CYP2D6 P10635 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRNB2 P17787 1/20 0.37
NFKB1 P19838 1/20 0.37
CHRM3 P20309 1/20 0.37
MAPK1 P28482 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
CSNK2A2 P19784 1/20 0.36
CSNK2A1 P68400 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.35
APEX1 P27695 1/20 0.35
EPHX1 P07099 1/20 0.35

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
SCHEMBL13649512 0.93 TSHR (0.39) TSHRACHEALDH1A1CHRM2CHRM4
SCHEMBL1104746 0.82
SCHEMBL5620270 0.80
SCHEMBL5297614 0.80
SCHEMBL13857470 0.80
SCHEMBL17550827 0.80 ACHE (0.59) TSHRACHECHRNB2CHRNA4
SCHEMBL10050100 0.78 ACHE (0.52) TSHRACHEALDH1A1CHRNB2CHRNA4
SCHEMBL24452809 0.77 CHRNB2 (0.50) TSHRACHEALDH1A1CHRM2CHRM4
SCHEMBL12846318 0.77 CA12 (0.41) TSHRACHEALDH1A1CHRNB2NFKB1
SCHEMBL9587596 0.77 CHRNB2 (0.50) TSHRACHEALDH1A1CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2112136-B1 BIS(2-ALKOXYETHYL) AZODICARBOXYLATE ESTER COMPOUND AND INTERMEDIATE FOR PRODUCTION OF THE SAME TOYO BOSEKI (JP) 2012-05-23 EP disclosed
EP-2112136-B1 BIS(2-ALKOXYETHYL) AZODICARBOXYLATE ESTER COMPOUND AND INTERMEDIATE FOR PRODUCTION OF THE SAME TOYO BOSEKI (JP) 2012-05-23 EP disclosed
US-7947816-B2 Azodicarboxylic acid bis(2-alkoxyethyl) ester compound, and production intermediate thereof TOYO BOSEKI KABUSHIKI KAISHA (JP) 2011-05-24 US disclosed
US-7947816-B2 Azodicarboxylic acid bis(2-alkoxyethyl) ester compound, and production intermediate thereof TOYO BOSEKI KABUSHIKI KAISHA (JP) 2011-05-24 US disclosed
US-7947816-B2 Azodicarboxylic acid bis(2-alkoxyethyl) ester compound, and production intermediate thereof TOYO BOSEKI KABUSHIKI KAISHA (JP) 2011-05-24 US disclosed
US-20110028701-A1 AZODICARBOXYLIC ACID BIS(2-ALKOXYETHYL) ESTER COMPOUND, AND PRODUCTION INTERMEDIATE THEREOF TOYOBO MC CORPORATION (JP) 2011-02-03 US disclosed
US-20110028701-A1 AZODICARBOXYLIC ACID BIS(2-ALKOXYETHYL) ESTER COMPOUND, AND PRODUCTION INTERMEDIATE THEREOF TOYOBO MC CORPORATION (JP) 2011-02-03 US disclosed
US-20110028701-A1 AZODICARBOXYLIC ACID BIS(2-ALKOXYETHYL) ESTER COMPOUND, AND PRODUCTION INTERMEDIATE THEREOF TOYOBO MC CORPORATION (JP) 2011-02-03 US disclosed
US-7820802-B2 Azodicarboxylic acid bis(2-alkoxyethyl) ester compound, and production intermediate thereof TOYOBO MC CORPORATION (JP) 2010-10-26 US disclosed
US-7820802-B2 Azodicarboxylic acid bis(2-alkoxyethyl) ester compound, and production intermediate thereof TOYOBO MC CORPORATION (JP) 2010-10-26 US disclosed
US-7820802-B2 Azodicarboxylic acid bis(2-alkoxyethyl) ester compound, and production intermediate thereof TOYOBO MC CORPORATION (JP) 2010-10-26 US disclosed
US-20100048881-A1 AZODICARBOXYLIC ACID BIS(2-ALKOXYETHYL) ESTER COMPOUND, AND PRODUCTION INTERMEDIATE THEREOF TOYO KASEI KOGYO CO., LTD. (JP) 2010-02-25 US disclosed
US-20100048881-A1 AZODICARBOXYLIC ACID BIS(2-ALKOXYETHYL) ESTER COMPOUND, AND PRODUCTION INTERMEDIATE THEREOF TOYO KASEI KOGYO CO., LTD. (JP) 2010-02-25 US disclosed
US-20100048881-A1 AZODICARBOXYLIC ACID BIS(2-ALKOXYETHYL) ESTER COMPOUND, AND PRODUCTION INTERMEDIATE THEREOF TOYO KASEI KOGYO CO., LTD. (JP) 2010-02-25 US disclosed
EP-2112136-A1 BIS(2-ALKOXYETHYL) AZODICARBOXYLATE ESTER COMPOUND AND INTERMEDIATE FOR PRODUCTION OF THE SAME TOYO KASEI KOGYO COMPANY LIMITED (JP) 2009-10-28 EP disclosed
EP-2112136-A1 BIS(2-ALKOXYETHYL) AZODICARBOXYLATE ESTER COMPOUND AND INTERMEDIATE FOR PRODUCTION OF THE SAME TOYO KASEI KOGYO COMPANY LIMITED (JP) 2009-10-28 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110028701-A1 AZODICARBOXYLIC ACID BIS(2-ALKOXYETHYL) ESTER COMPOUND, AND PRODUCTION INTERMEDIATE THEREOF CPS1, MCCC2, PC TSHR 4109/4885ACHE 3542/4885ALDH1A1 554/4885
US-20100048881-A1 AZODICARBOXYLIC ACID BIS(2-ALKOXYETHYL) ESTER COMPOUND, AND PRODUCTION INTERMEDIATE THEREOF CPS1, MCCC2, PC TSHR 4109/4885ACHE 3542/4885ALDH1A1 554/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.