SCHEMBL5609998

SCHEMBL5609998

C=CC(=O)OCCC(C)C.C=CC(=O)OCCCCC

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.68
HPGD P15428 1/20 0.68
ALDH1A1 P00352 3/20 0.58
CYP3A4 P08684 1/20 0.58
HCAR2 Q8TDS4 3/20 0.49
ATM Q13315 1/20 0.47
TP53 P04637 2/20 0.44
HIF1A Q16665 2/20 0.44
HSD17B10 Q99714 1/20 0.44
NAAA Q02083 1/20 0.42
THRB P10828 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
EPHX1 P07099 1/20 0.40

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
SCHEMBL28830352 0.98 TSHR (0.66) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL27392992 0.98 TSHR (0.66) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL28087678 0.93 TSHR (0.63) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL31621131 0.92 TSHR (0.66) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL28877228 0.92 TSHR (0.66) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL9488008 0.92 TSHR (0.66) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL3190479 0.92 TSHR (0.66) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL6142430 0.92 TSHR (0.66) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL9651160 0.92 TSHR (0.66) TSHRHPGDALDH1A1CYP3A4HCAR2
Isobutane SCHEMBL23794926 0.90 TSHR (0.78) TSHRHPGDALDH1A1CYP3A4HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470175-B1 OLIGOMERIC CHAIN EXTENDERS FOR PROCESSING, POST-PROCESSING AND RECYCLING OF CONDENSATION POLYMERS, SYNTHESIS, COMPOSITIONS AND APPLICATIONS BASF CORP (US) 2007-03-14 EP disclosed