SCHEMBL4558232

SCHEMBL4558232

C=CC(=O)OCC(F)(F)F.CC=C(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
TP53 P04637 3/20 0.44
HIF1A Q16665 3/20 0.44
CYP3A4 P08684 2/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
THRB P10828 2/20 0.38
TSHR P16473 8/20 0.38
HPGD P15428 1/20 0.37
HTT P42858 2/20 0.36
HSD17B10 Q99714 2/20 0.36
FABP7 O15540 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
Methacrylic Acid SCHEMBL9136233 0.86 ALDH1A1 (0.47) ALDH1A1TP53HIF1ACYP3A4MAPK1
Methacrylic Acid SCHEMBL28476192 0.86 ALDH1A1 (0.47) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL42473 0.84 ALDH1A1 (0.59) ALDH1A1TP53HIF1ACYP3A4MAPK1
Acrylic Acid Methyl Ester SCHEMBL28313078 0.79 ALDH1A1 (0.50) ALDH1A1TP53HIF1ACYP3A4MAPK1
Acrylic Acid Ethyl Ester SCHEMBL2431230 0.79 TSHR (0.46) ALDH1A1TP53HIF1ACYP3A4MAPK1
Methacrylic Acid SCHEMBL9137100 0.78 ALDH1A1 (0.44) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL30013661 0.78 ALDH1A1 (0.46) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL28056594 0.77 TSHR (0.41) ALDH1A1TP53HIF1ACYP3A4MAPK1
Itaconate SCHEMBL9136633 0.77 HSD17B10 (0.49) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL29602206 0.77 ALDH1A1 (0.44) ALDH1A1TP53HIF1ACYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1723181-A4 TELECHELIC POLYMERS CONTAINING REACTIVE FUNCTIONAL GROUPS PENN STATE RES FOUND (US) 2009-01-21 EP disclosed
US-7262257-B2 Telechelic polymers containing reactive functional groups THE PENN STATE RESEARCH FOUNDATION (US) 2007-08-28 US disclosed
EP-1723181-A1 TELECHELIC POLYMERS CONTAINING REACTIVE FUNCTIONAL GROUPS THE PENN STATE RESEARCH FOUNDATION (US) 2006-11-22 EP disclosed
WO-2005085297-A1 TELECHELIC POLYMERS CONTAINING REACTIVE FUNCTIONAL GROUPS PENN STATE RESEARCH FOUNDATION (US) 2005-09-15 WO disclosed
US-20050182208-A1 Telechelic polymers containing reactive functional groups THE PENN STATE RESEARCH FOUNDATION 2005-08-18 US disclosed