SCHEMBL7745837

SCHEMBL7745837

CC=CCOC(=O)CC=CC

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 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
SCHEMBL448049 0.85 ADRA2A (0.41) TSHR
SCHEMBL11850207 0.85 TSHR (0.43) TSHR
SCHEMBL1077872 0.85 TSHR (0.52) TSHR
SCHEMBL1077874 0.85 TSHR (0.52) TSHR
SCHEMBL20528139 0.83 MGAM (0.46) TSHR
SCHEMBL6552702 0.81 TSHR (0.52) TSHR
SCHEMBL1203424 0.81
SCHEMBL1203425 0.81
SCHEMBL3892225 0.81
SCHEMBL1695314 0.81

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
WO-2001053249-A1 PROCESS FOR THE CARBONYLATION OF BUTADIENE AND/OR AT LEAST ONE BUTADIENE DERIVATIVE DSM N.V. (NL) 2001-07-26 WO disclosed
EP-1118607-A1 Process for the carbonylation of butadiene and/or at least one butadiene derivative DSM N.V. (NL) 2001-07-25 EP disclosed
WO-2001021569-A1 PROCESS FOR THE PREPARATION OF 3-PENTENOIC ACID AND/OR ESTER THEREOF STARTING FROM BUTADIENE DSM N.V. (NL) 2001-03-29 WO disclosed
EP-1085004-A1 Process for the carbonylation of butadiene and/or butadiene derivative DSM N.V. (NL) 2001-03-21 EP disclosed
US-5380938-A Iridium catalyst RHONE-POULENC CHIMIE (FR) 1995-01-10 US disclosed