SCHEMBL5067017

SCHEMBL5067017

OC(CCCCCOCC1CO1)OCC1CO1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
ALDH1A1 P00352 3/20 0.54
TDP1 Q9NUW8 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.49
MAPK1 P28482 1/20 0.34
SPHK2 Q9NRA0 7/20 0.34
SPHK1 Q9NYA1 6/20 0.34
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
PDK1 Q15118 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
SCHEMBL21327777 0.89 TSHR (0.40) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL25211268 0.84 TSHR (0.36) TSHRALDH1A1TDP1SMN1; SMN2TP53
SCHEMBL28034730 0.84 TSHR (0.41) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL11416391 0.83 ALDH1A1 (0.42) TSHRALDH1A1TDP1SMN1; SMN2
SCHEMBL1970400 0.83 TSHR (0.35) TSHRALDH1A1TDP1SMN1; SMN2
SCHEMBL525459 0.83 ALDH1A1 (0.42) TSHRALDH1A1TDP1SMN1; SMN2
SCHEMBL3750987 0.81 ALDH1A1 (0.51) ALDH1A1TDP1SMN1; SMN2
SCHEMBL18839942 0.81 ALDH1A1 (0.51) ALDH1A1TDP1SMN1; SMN2
SCHEMBL636117 0.81 ALDH1A1 (0.39) TSHRALDH1A1TDP1SMN1; SMN2TP53
SCHEMBL16424440 0.80 TSHR (0.60) TSHRALDH1A1TDP1SMN1; SMN2MAPK1

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
US-20080289539-A1 COATING COMPOSITIONS HAVING HYPERBRANCHED POLYMERS AND METHODS OF PRODUCING SAME BASF CORPORATION (US) 2008-11-27 US claimed
US-20080289539-A1 COATING COMPOSITIONS HAVING HYPERBRANCHED POLYMERS AND METHODS OF PRODUCING SAME BASF CORPORATION (US) 2008-11-27 US disclosed