SCHEMBL5133477

SCHEMBL5133477

C=C(CC=CC(=O)O)C(=O)OC.C=CC(=O)OCCCC.CCC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.50
HPGD P15428 1/20 0.50
HCAR2 Q8TDS4 4/20 0.45
ATM Q13315 1/20 0.39
ALDH1A1 P00352 3/20 0.37
CYP3A4 P08684 1/20 0.37
THRB P10828 1/20 0.36
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
APP P05067 1/20 0.32
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
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
SCHEMBL2897557 0.94 TSHR (0.56) TSHRHPGDHCAR2ATMALDH1A1
Acrylic Acid Ethyl Ester SCHEMBL17956576 0.91 TSHR (0.52) TSHRHPGDHCAR2ATMALDH1A1
SCHEMBL5607697 0.90 TSHR (0.47) TSHRHPGDHCAR2ATMALDH1A1
Methacrylic Acid SCHEMBL8025755 0.90 TSHR (0.51) TSHRHPGDHCAR2ATMALDH1A1
SCHEMBL5054538 0.85 TSHR (0.46) TSHRHPGDHCAR2ATMALDH1A1
Acrylic Acid Methyl Ester SCHEMBL17956580 0.83 TSHR (0.49) TSHRHPGDHCAR2ATMALDH1A1
SCHEMBL4125846 0.83 TSHR (0.58) TSHRHPGDHCAR2ATMALDH1A1
SCHEMBL8058643 0.83 TSHR (0.46) TSHRHPGDHCAR2ATMALDH1A1
SCHEMBL11346702 0.83 TSHR (0.46) TSHRHPGDHCAR2ATMALDH1A1
SCHEMBL6848771 0.82 TSHR (0.54) TSHRHPGDHCAR2ATMALDH1A1

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
EP-1371688-B1 Colorants, dispersants and dispersions containing polymeric nanoparticles ROHM & HAAS (US) 2008-10-22 EP disclosed
EP-1371679-B1 Aqueous composition containing polymeric nanoparticles ROHM & HAAS (US) 2008-04-09 EP disclosed
US-7273842-B1 Colorants, dispersants and dispersions containing polymeric nanoparticles ROHM AND HAAS COMPANY (US) 2007-09-25 US disclosed
US-7071261-B2 Aqueous composition containing polymeric nanoparticles ROHM AND HAAS COMPANY (US) 2006-07-04 US disclosed
US-20030232914-A1 Aqueous composition containing polymeric nanoparticles ROHM AND HAAS COMPANY 2003-12-18 US disclosed
EP-1371688-A2 Colorants, dispersants and dispersions containing polymeric nanoparticles ROHM AND HAAS COMPANY (US) 2003-12-17 EP disclosed
EP-1371679-A1 Aqueous composition containing polymeric nanoparticles ROHM AND HAAS COMPANY (US) 2003-12-17 EP disclosed