SCHEMBL4394433

SCHEMBL4394433

CCOCCCOCC[CH]CCCOCCCOCCCOCC

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.32

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
SCHEMBL11105491 0.89 ALDH1A1 (0.43) ALDH1A1TSHR
SCHEMBL3169502 0.87 TSHR (0.32) ALDH1A1TSHR
SCHEMBL200066 0.87 TSHR (0.32) ALDH1A1TSHR
SCHEMBL979514 0.87 ALDH1A1 (0.45) ALDH1A1TSHR
SCHEMBL6017579 0.85 TSHR (0.42) ALDH1A1TSHR
SCHEMBL9005595 0.84 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL18243877 0.83
SCHEMBL2538798 0.83
SCHEMBL4466679 0.83
SCHEMBL6344570 0.83 ALDH1A1 (0.35) ALDH1A1

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
US-20090300946-A1 ANTISTATIC POLYURETHANE BASF SE (DE) 2009-12-10 US disclosed