SCHEMBL277778

SCHEMBL277778

C=C(C)C(=O)OCC1CO1.C=C(CCC1CO1)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.71
CYP3A4 P08684 2/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
MGLL Q99685 3/20 0.33

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
SCHEMBL2816460 0.90 ALDH1A1 (0.55) ALDH1A1CYP3A4TP53TSHR
Methacrylic Acid SCHEMBL27968087 0.86 ALDH1A1 (0.89) ALDH1A1CYP3A4TP53TSHRCYP2D6
Methacrylic Acid SCHEMBL21811332 0.86 ALDH1A1 (0.89) ALDH1A1CYP3A4TP53TSHRCYP2D6
Methacrylic Acid SCHEMBL28593113 0.86 ALDH1A1 (0.89) ALDH1A1CYP3A4TP53TSHRCYP2D6
Methacrylic Acid SCHEMBL180731 0.86 ALDH1A1 (0.89) ALDH1A1CYP3A4TP53TSHRCYP2D6
Methacrylic Acid SCHEMBL6743789 0.86 ALDH1A1 (0.89) ALDH1A1CYP3A4TP53TSHRCYP2D6
SCHEMBL6890384 0.86 ALDH1A1 (0.68) ALDH1A1CYP3A4TP53MGLL
SCHEMBL1517917 0.86 ALDH1A1 (0.68) ALDH1A1CYP3A4TP53TSHRMGLL
SCHEMBL4304682 0.85 ALDH1A1 (0.76) ALDH1A1CYP3A4TP53TSHRCYP2D6
SCHEMBL3423249 0.85 ALDH1A1 (0.49) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7014972-B2 Gel organosol including amphipathic copolymeric binder having hydrogen bonding functionality and liquid toners for electrophotographic applications SAMSUNG ELECTRONICS COMPANY (KR) 2006-03-21 US claimed
US-8133590-B2 Dual cure coating compositions, multi-component composite coatings, and related coated substrates PPG INDUSTRIES OHIO, INC (US) 2012-03-13 US disclosed
US-20110207851-A1 USE OF AQUEOUS COMPOSITE-PARTICLE DISPERSIONS AS BINDERS IN ELASTIC COATINGS BASF SE (DE) 2011-08-25 US disclosed
US-20110040020-A1 DUAL CURE COATING COMPOSITIONS, MULTI-COMPONENT COMPOSITE COATINGS, AND RELATED COATED SUBSTRATES PPG INDUSTRIES OHIO, INC. (US) 2011-02-17 US disclosed
EP-2277946-A1 Acrylic blends Lucite International UK Limited (GB) 2011-01-26 EP disclosed
US-20090317626-A1 USE OF AQUEOUS COMPOSITE PARTICLE DISPERSIONS AS BINDING AGENTS IN COATINGS FOR TIMBER BASF SE (DE) 2009-12-24 US disclosed
US-7014972-B2 Gel organosol including amphipathic copolymeric binder having hydrogen bonding functionality and liquid toners for electrophotographic applications SAMSUNG ELECTRONICS COMPANY (KR) 2006-03-21 US disclosed