SCHEMBL8632664

SCHEMBL8632664

C=C(C(=O)O)C(C)C=C(CCCC)C(=O)O.C=C(C)C(=O)OCC1CO1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
TSHR P16473 3/20 0.34
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL11711872 0.89 ALDH1A1 (0.58) ALDH1A1TSHRTP53CYP3A4
SCHEMBL10797921 0.81 ALDH1A1 (0.57) ALDH1A1TSHRTP53CYP3A4SMN1; SMN2
SCHEMBL8635856 0.81 ALDH1A1 (0.56) ALDH1A1TSHRTP53CYP3A4SMN1; SMN2
SCHEMBL1133777 0.81 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL1517917 0.79 ALDH1A1 (0.68) ALDH1A1TSHRTP53CYP3A4SMN1; SMN2
SCHEMBL6656807 0.79 ALDH1A1 (0.44) ALDH1A1
SCHEMBL158481 0.79 APEX1 (0.36) ALDH1A1TSHRTP53
Ethylene SCHEMBL3315158 0.78 ALDH1A1 (0.66) ALDH1A1TSHRTP53CYP3A4SMN1; SMN2
SCHEMBL28078634 0.78 ALDH1A1 (0.69) ALDH1A1TSHRTP53CYP3A4
Hexane SCHEMBL28284072 0.77 ALDH1A1 (0.83) ALDH1A1TSHRTP53CYP3A4SMN1; SMN2

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-0853635-A1 BRANCHED BLOCK ETHYLENE POLYMERS, THEIR PREPARATION AND COMPOSITIONS COMPRISING THE SAME THE DOW CHEMICAL COMPANY (US) 1998-07-22 EP disclosed
WO-1997012919-A1 BRANCHED BLOCK ETHYLENE POLYMERS, THEIR PREPARATION AND COMPOSITIONS COMPRISING THE SAME THE DOW CHEMICAL COMPANY (US) 1997-04-10 WO disclosed