SCHEMBL5872297

SCHEMBL5872297

C=CCCC(=C)C.CC(C)=CC=C(C)C

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.38
LSS P48449 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TP53 P04637 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
SCHEMBL42883 0.89
Bicarbonate SCHEMBL11210739 0.80 MAPT (0.43) TSHRLSSALDH1A1TP53
SCHEMBL11138456 0.77 TSHR (0.34) TSHR
SCHEMBL9955815 0.76 LSS (0.53) TSHRLSSALDH1A1
SCHEMBL9954138 0.76 LSS (0.53) TSHRLSSALDH1A1
SCHEMBL9954133 0.76 LSS (0.53) TSHRLSSALDH1A1
SCHEMBL9956468 0.76 LSS (0.53) TSHRLSSALDH1A1
SCHEMBL9956466 0.76 LSS (0.53) TSHRLSSALDH1A1
SCHEMBL9955818 0.76 LSS (0.53) TSHRLSSALDH1A1
SCHEMBL9955706 0.76 LSS (0.53) TSHRLSSALDH1A1

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-7041760-B2 Process for production of butyl rubber BAYER INC. (CA) 2006-05-09 US disclosed