SCHEMBL7220322

SCHEMBL7220322

C=C(C)C(=O)O/C=C/C=C/CC

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
THRB P10828 1/20 0.38
TSHR P16473 3/20 0.37
TRPA1 O75762 1/20 0.36
PPARA Q07869 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
SCHEMBL7220324 1.00 ALDH1A1 (0.39) ALDH1A1THRBTSHRTRPA1PPARA
SCHEMBL3310908 0.89 ALDH1A1 (0.41) ALDH1A1THRBTSHRTRPA1PPARA
SCHEMBL4863388 0.89 ALDH1A1 (0.41) ALDH1A1THRBTSHRTRPA1PPARA
SCHEMBL29117885 0.83 TSHR (0.43) ALDH1A1TSHR
SCHEMBL29031789 0.82 THRB (0.41) ALDH1A1THRBTSHR
SCHEMBL15467934 0.81 ALDH1A1 (0.41) ALDH1A1THRBTSHR
SCHEMBL15671189 0.81 ALDH1A1 (0.41) ALDH1A1THRBTSHR
SCHEMBL5287799 0.80 TRPA1 (0.40) ALDH1A1TRPA1PPARA
SCHEMBL5287805 0.80 TRPA1 (0.40) ALDH1A1TRPA1PPARA
SCHEMBL10856443 0.80 TRPA1 (0.40) ALDH1A1TRPA1PPARA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6566549-B1 Forming oligomers of vinyl acetate and oligomers of vinyl alcohol; fully saturated and terminally unsaturated oligomers ROHM AND HAAS COMPANY 2003-05-20 US disclosed
US-20020111448-A1 Continuous polymerization process and products therefrom GREENBLATT GARY DAVID (US) 2002-08-15 US disclosed
US-20020082371-A1 Continuous polymerization process and products therefrom GREENBLATT GARY DAVID (US) 2002-06-27 US disclosed
EP-1010706-A2 Continuous polymerization process and products therefrom ROHM AND HAAS COMPANY (US) 2000-06-21 EP disclosed