SCHEMBL6441784

SCHEMBL6441784

C=CC(=O)OC(C)(CCCC)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.50
HPGD P15428 1/20 0.50
THRB P10828 9/20 0.43
ATM Q13315 1/20 0.36
HCAR2 Q8TDS4 2/20 0.36
THRA P10827 6/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
GMNN O75496 1/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
APEX1 P27695 1/20 0.32
CYP2C19 P33261 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
SCHEMBL28093702 0.82 THRB (0.40) TSHRHPGDTHRBTHRACYP3A4
SCHEMBL15821018 0.81 TSHR (0.47) TSHRHPGDTHRBATMHCAR2
SCHEMBL29372293 0.80 TSHR (0.50) TSHRHPGDTHRBATMHCAR2
SCHEMBL3234096 0.80 TSHR (0.50) TSHRHPGDTHRBATMHCAR2
SCHEMBL28780914 0.80 TSHR (0.50) TSHRHPGDTHRBATMHCAR2
SCHEMBL28345184 0.79 TSHR (0.48) TSHRHPGDTHRBATMTHRA
SCHEMBL31609320 0.78 TSHR (0.52) TSHRHPGDTHRBATMHCAR2
SCHEMBL28853858 0.78 TSHR (0.35) TSHRHPGDTHRBTHRACYP3A4
SCHEMBL15618963 0.78 GAA (0.52) TSHRATMHCAR2ALDH1A1FDPS
SCHEMBL17023949 0.78 GAA (0.52) TSHRATMHCAR2ALDH1A1FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1182189-B1 Process for recovering butyl acrylate substantially free from acrylic acid ROHM & HAAS (US) 2005-03-09 EP disclosed
US-6506930-B1 Charging reactor with C1-C4 alcohol, (meth)acrylic acid, strong acid catalyst, inhibitor and water to form mixture, reacting to form a C1-C4 alkyl (meth) acrylate and process impurities which are hydrolyzed, separating ester and water ROHM AND HAAS COMPANY 2003-01-14 US disclosed
EP-0779268-B1 Process for producing alkyl acrylate ROHM & HAAS (US) 2002-06-19 EP disclosed
EP-1182189-A2 Process for recovering butyl acrylate substantially free from acrylic acid ROHM AND HAAS COMPANY (US) 2002-02-27 EP disclosed
EP-0916643-B1 A process for preparing alkyl (meth)acrylates ROHM & HAAS (US) 2001-12-19 EP disclosed
US-6180819-B1 DISTILLING FROM ESTERIFICATION REACTOR VAPORIZED MIXTURE OF ACRYLIC ACID, ALKYL ACRYLATE, ALKANOL AND WATER, SEPARATING ORGANIC AND AQUEOUS PHASES, FEEDING TO ACRYLIC ACID SEPARATION COLUMN, DISTILLING AZEOTROPE MIXTURE, SEPARATING ESTER ROHM AND HAAS COMPANY 2001-01-30 US disclosed
EP-0916643-A1 A process for preparing alkyl (meth)acrylates ROHM AND HAAS COMPANY (US) 1999-05-19 EP disclosed
EP-0779268-A1 Process for producing alkyl acrylate ROHM AND HAAS COMPANY (US) 1997-06-18 EP disclosed