SCHEMBL21170200

SCHEMBL21170200

C=CCCC(F)/C(C)=C\CC

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
ALDH1A1 P00352 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
SCHEMBL18112595 0.78 TSHR (0.33) TSHRALDH1A1
SCHEMBL10906262 0.71 TSHR (0.38) TSHRALDH1A1
SCHEMBL10906265 0.71 TSHR (0.38) TSHRALDH1A1
SCHEMBL20145393 0.68
SCHEMBL22475641 0.68
SCHEMBL24445137 0.66
SCHEMBL10694895 0.66
SCHEMBL23986554 0.65
SCHEMBL8539928 0.65
SCHEMBL2134527 0.65

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-3127541-B1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE CYTOKINETICS INC (US) 2019-07-17 EP disclosed