SCHEMBL7060068

SCHEMBL7060068

C=CC(CC)(CCCCC)OC(C=C)(CC)CCCCC

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
ALDH1A1 P00352 1/20 0.33
SMPD1 P17405 1/20 0.31
THRB P10828 1/20 0.30
GGPS1 O95749 2/20 0.30
FDPS P14324 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
SCHEMBL27697856 0.86
SCHEMBL28259671 0.85 TSHR (0.37) TSHRALDH1A1SMPD1THRBGGPS1
SCHEMBL3482595 0.83 ALDH1A1 (0.31) TSHRALDH1A1
SCHEMBL15302563 0.80 TSHR (0.34) TSHRALDH1A1
SCHEMBL3482186 0.77 TSHR (0.33) TSHRALDH1A1
SCHEMBL19810865 0.74 DNM1 (0.37)
SCHEMBL3482214 0.74 ALDH1A1 (0.31) TSHRALDH1A1
SCHEMBL3482177 0.73
SCHEMBL2754123 0.73 FDPS (0.39) TSHRALDH1A1SMPD1GGPS1FDPS
SCHEMBL31201072 0.72 TSHR (0.43) TSHRALDH1A1SMPD1THRBGGPS1

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
EP-0787750-B1 Poly(alkylethylene) structural isomers BOREALIS GMBH (AT) 2003-05-14 EP claimed
CN-101023084-A Compositions containing phthalocyanine dyes CIBA SC HOLDING AG (CH) 2007-08-22 CN disclosed