SCHEMBL5202522

SCHEMBL5202522

C=C(C)C(=O)OC(C)[N+](C)(C)C.C=CC(=O)OCCCC

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.58
HPGD P15428 1/20 0.58
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 1/20 0.42
ATM Q13315 1/20 0.41
HCAR2 Q8TDS4 3/20 0.38
TP53 P04637 2/20 0.36
HIF1A Q16665 2/20 0.36
HSD17B10 Q99714 1/20 0.36
THRB P10828 3/20 0.35
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL6131247 0.86 TSHR (0.65) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL27631066 0.85 TSHR (0.63) TSHRHPGDALDH1A1CYP3A4ATM
Acrylic Acid Ethyl Ester SCHEMBL5460854 0.82 TSHR (0.41) TSHRHPGDALDH1A1THRBNPSR1
SCHEMBL5202513 0.82 TSHR (0.58) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL313059 0.81 TSHR (0.76) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL9776637 0.81 TSHR (0.61) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL27531013 0.81 TSHR (0.56) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL2336875 0.80 TSHR (0.56) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL7567268 0.80 TSHR (0.73) TSHRHPGDALDH1A1CYP3A4ATM
Acrylic Acid SCHEMBL28328462 0.80 TSHR (0.55) TSHRHPGDALDH1A1CYP3A4ATM

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-1613482-B1 INKJET RECORDING ELEMENT COMPRISING PARTICLES AND POLYMERS EASTMAN KODAK CO (US) 2007-08-22 EP claimed
US-20060210730-A1 Inkjet recording element comprising particles and polymers EASTMAN KODAK COMPANY 2006-09-21 US claimed
EP-1613482-A1 INKJET RECORDING ELEMENT COMPRISING PARTICLES AND POLYMERS EASTMAN KODAK COMPANY (US) 2006-01-11 EP claimed
WO-2004094158-A1 INKJET RECORDING ELEMENT COMPRISING PARTICLES AND POLYMERS EASTMAN KODAK COMPANY (US) 2004-11-04 WO claimed
EP-1613482-B1 INKJET RECORDING ELEMENT COMPRISING PARTICLES AND POLYMERS EASTMAN KODAK CO (US) 2007-08-22 EP disclosed
US-20060210730-A1 Inkjet recording element comprising particles and polymers EASTMAN KODAK COMPANY 2006-09-21 US disclosed
EP-1613482-A1 INKJET RECORDING ELEMENT COMPRISING PARTICLES AND POLYMERS EASTMAN KODAK COMPANY (US) 2006-01-11 EP disclosed
WO-2004094158-A1 INKJET RECORDING ELEMENT COMPRISING PARTICLES AND POLYMERS EASTMAN KODAK COMPANY (US) 2004-11-04 WO disclosed