SCHEMBL8635856

SCHEMBL8635856

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

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
TSHR P16473 2/20 0.35
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL1517917 0.86 ALDH1A1 (0.68) ALDH1A1TSHRTP53CYP3A4SMN1; SMN2
Ethylene SCHEMBL3315158 0.85 ALDH1A1 (0.66) ALDH1A1TSHRTP53CYP3A4SMN1; SMN2
SCHEMBL7592646 0.83 ALDH1A1 (0.68) ALDH1A1TSHRTP53CYP3A4
SCHEMBL10797921 0.83 ALDH1A1 (0.57) ALDH1A1TSHRTP53CYP3A4SMN1; SMN2
SCHEMBL7872815 0.81 ALDH1A1 (0.64) ALDH1A1TSHRTDP1
SCHEMBL8632664 0.81 ALDH1A1 (0.53) ALDH1A1TSHRTP53CYP3A4SMN1; SMN2
Acrylonitrile SCHEMBL18118068 0.80 ALDH1A1 (0.56) ALDH1A1TSHRTP53CYP3A4SMN1; SMN2
SCHEMBL7957498 0.80 ALDH1A1 (0.56) ALDH1A1TSHRTP53CYP3A4SMN1; SMN2
Hexane SCHEMBL28284072 0.79 ALDH1A1 (0.83) ALDH1A1TSHRTP53CYP3A4SMN1; SMN2
SCHEMBL11785001 0.78 ALDH1A1 (0.53) ALDH1A1TSHRSMN1; SMN2TDP1

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