SCHEMBL1262355

SCHEMBL1262355

C=C(C)C(=O)OC[N+](C)(C)C.O=[N+]([O-])[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
THRB P10828 1/20 0.40
ALDH1A1 P00352 2/20 0.38
GALR3 O60755 2/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
PGR P06401 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
HTR1A P08908 1/20 0.32
CHRNB2 P17787 1/20 0.32
TBXA2R P21731 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHRNA10 Q9GZZ6 1/20 0.32
CHRNA9 Q9UGM1 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
SCHEMBL1498219 0.90 TSHR (0.50) TSHRTHRBALDH1A1GALR3CHRM5
Bromide SCHEMBL17536050 0.88 TSHR (0.48) TSHRTHRBALDH1A1GALR3CHRM5
Hydrochloric Acid SCHEMBL10629539 0.88 THRB (0.50) TSHRTHRBALDH1A1GALR3CHRM5
SCHEMBL28044392 0.88 TSHR (0.48) TSHRTHRBALDH1A1GALR3CHRM5
Iodide SCHEMBL21253234 0.88 TSHR (0.48) TSHRTHRBALDH1A1GALR3CHRM5
Methacrylic Acid SCHEMBL28074139 0.85 THRB (0.44) TSHRTHRBALDH1A1GALR3CHRM5
SCHEMBL9620012 0.81 CHRM5 (0.55) TSHRTHRBGALR3CHRM5CHRM1
SCHEMBL11760936 0.80 TSHR (0.39) TSHRTHRBALDH1A1GALR3POLB
SCHEMBL4937680 0.80 TSHR (0.39) TSHRTHRBALDH1A1GALR3
SCHEMBL14367114 0.75 TSHR (0.48) TSHRTHRBALDH1A1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7896485-B2 Light cure of cationic ink on acidic substrates GERBER SCIENTIFIC INTERNATIONAL, INC. (US) 2011-03-01 US disclosed
US-7878644-B2 Light cure of cationic ink on acidic substrates GERBER SCIENTIFIC INTERNATIONAL, INC. (US) 2011-02-01 US disclosed
EP-1948724-A1 LIGHT CURE OF CATIONIC INK ON ACIDIC SUBSTRATES Gerber Scientific International, Inc. (US) 2008-07-30 EP disclosed
EP-1948444-A2 LIGHT CURE OF CATIONIC INK ON ACIDIC SUBSTRATES Gerber Scientific International, Inc. (US) 2008-07-30 EP disclosed
WO-2007058796-A9 LIGHT CURE OF CATIONIC INK ON ACIDIC SUBSTRATES GERBER SCIENT INTERNATIONAL IN (US) 2007-08-16 WO disclosed
WO-2007058651-A1 LIGHT CURE OF CATIONIC INK ON ACIDIC SUBSTRATES GERBER SCIENTIFIC INTERNATIONAL, INC. (US) 2007-05-24 WO disclosed
WO-2007058796-A2 LIGHT CURE OF CATIONIC INK ON ACIDIC SUBSTRATES GERBER SCIENTIFIC INTERNATIONAL, INC. (US) 2007-05-24 WO disclosed
US-20070109382-A1 Light Cure of Cationic Ink on Acidic GERBER SCIENTIFIC, INC. 2007-05-17 US disclosed
US-20070110958-A1 Light cure of cationic ink on acidic substrates GERBER SCIENTIFIC, INC. 2007-05-17 US disclosed
EP-0000247-A1 Water-absorbent starch copolymerisates and method for their preparation. A.E. STALEY MANUFACTURING COMPANY (US) 1979-01-10 EP disclosed
US-4115332-A Water-absorbent starch copolymerizates A. E. STALEY MANUFACTURING COMPANY (US) 1978-09-19 US disclosed