SCHEMBL20628801

SCHEMBL20628801

C#CCOCC(=C)/C=C\C(=C)C(=O)N(C)C

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 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
SCHEMBL20628622 0.72
SCHEMBL4031835 0.69 TSHR (0.39) TSHR
SCHEMBL20715157 0.63 MEN1 (0.31)
SCHEMBL899833 0.62
SCHEMBL4097444 0.62
SCHEMBL1723955 0.62
SCHEMBL21445819 0.62 NPC1 (0.38) TSHR
SCHEMBL13776377 0.61 ALDH1A1 (0.37) TSHR
SCHEMBL2505557 0.60
SCHEMBL27744602 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019174977-A1 DELAYED RELEASE FORMULATION OF NITRIFICATION INHIBITORS BASF SE (DE) 2019-09-19 WO disclosed
EP-3218329-B1 BENZYLPROPARGYLETHER AS NITRIFICATION INHIBITORS BASF SE (DE) 2019-01-09 EP disclosed