SCHEMBL3036185

SCHEMBL3036185

CC=COCCO.CC=COCCO

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL666077 1.00
SCHEMBL940483 1.00
SCHEMBL15836162 1.00
Ethylene Glycol SCHEMBL27719212 0.97 ALDH1A1 (0.33) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL28125075 0.95 ALDH1A1 (0.32) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL5974292 0.85 MEN1 (0.52) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL1155428 0.85 MEN1 (0.52) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL1155640 0.85 MEN1 (0.52) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL5590866 0.83
SCHEMBL5590867 0.83

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-20100093951-A1 FLUORINE-CONTAINING POLYMER AND RESIN COMPOSITION JNC CORPORATION (JP) 2010-04-15 US disclosed