SCHEMBL4304682

SCHEMBL4304682

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

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.76
CYP3A4 P08684 2/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.37
TSHR P16473 4/20 0.36
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
MGLL Q99685 2/20 0.34

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
Ethylene SCHEMBL28068394 0.98 ALDH1A1 (0.73) ALDH1A1CYP3A4TP53THRBTSHR
Methacrylic Acid SCHEMBL180731 0.89 ALDH1A1 (0.89) ALDH1A1CYP3A4TP53THRBTSHR
Methacrylic Acid SCHEMBL27968087 0.89 ALDH1A1 (0.89) ALDH1A1CYP3A4TP53THRBTSHR
Methacrylic Acid SCHEMBL21811332 0.89 ALDH1A1 (0.89) ALDH1A1CYP3A4TP53THRBTSHR
Methacrylic Acid SCHEMBL28593113 0.89 ALDH1A1 (0.89) ALDH1A1CYP3A4TP53THRBTSHR
Methacrylic Acid SCHEMBL6743789 0.89 ALDH1A1 (0.89) ALDH1A1CYP3A4TP53THRBTSHR
Acrylic Acid Ethyl Ester SCHEMBL1299439 0.89 ALDH1A1 (0.59) ALDH1A1CYP3A4TP53THRBTSHR
Methacrylic Acid SCHEMBL28613571 0.87 ALDH1A1 (0.86) ALDH1A1CYP3A4TP53THRBTSHR
Methacrylic Acid SCHEMBL19630365 0.87 ALDH1A1 (0.86) ALDH1A1CYP3A4TP53THRBTSHR
Propane SCHEMBL11143722 0.87 ALDH1A1 (0.93) ALDH1A1CYP3A4TP53THRBTSHR

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
WO-2009058920-A1 POLY(HYDROXYALKANOIC ACID) COMPOSITION E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-05-07 WO disclosed
US-20090110859-A1 POLY(HYDROXYALKANOIC ACID) COMPOSITION E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-04-30 US disclosed