SCHEMBL8165019

SCHEMBL8165019

C=C(C)COCC1CO1.C=C(CC1CO1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL142122 0.83
SCHEMBL466069 0.82 ALDH1A1 (0.46) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
Methacrylic Acid SCHEMBL27510952 0.80 ALDH1A1 (0.47) ALDH1A1
SCHEMBL184079 0.80
SCHEMBL5713286 0.80 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2TDP1TP53CYP3A4
Ethylene SCHEMBL10456431 0.78 ALDH1A1 (0.38) ALDH1A1TP53CYP3A4
SCHEMBL4853358 0.78 ALDH1A1 (0.42) ALDH1A1
SCHEMBL4853339 0.78 ALDH1A1 (0.42) ALDH1A1
Methacrylic Acid SCHEMBL2937502 0.77 ALDH1A1 (0.61) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
Methacrylic Acid SCHEMBL21811308 0.77 ALDH1A1 (0.61) ALDH1A1TSHRMAPK1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6028135-A Preparation of aqueous polymer dispersions of low viscosity with polymer volume concentrations of at least 50% BASF AKTIENGESELLSCHAFT (DE) 2000-02-22 US disclosed