SCHEMBL9747219

SCHEMBL9747219

C=CC(=O)OC(CC(=O)O)OCC

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.37
HPGD P15428 1/20 0.36
ALDH1A1 P00352 4/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 0.31
THRB P10828 2/20 0.31
ALOX15 P16050 1/20 0.31
HCAR2 Q8TDS4 2/20 0.31
FFAR1 O14842 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
SCHEMBL20637063 0.86 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL237171 0.85 TSHR (0.39) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL23668048 0.84 TSHR (0.40) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8988187 0.83 TSHR (0.38) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28059039 0.83 TSHR (0.38) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL1507509 0.81 TSHR (0.40) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11697420 0.80 TSHR (0.36) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2232657 0.80 TSHR (0.40) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL202165 0.80 SLC22A6 (0.39) ALDH1A1THRBALOX15FFAR1
SCHEMBL29226613 0.79 TSHR (0.49) TSHRHPGDALDH1A1CYP3A4THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0239633-B1 PRESSURE-SENSITIVE ADHESIVE CONTAINING HEAT-SENSITIVE MATERIALS AVERY DENNISON CORPORATION (US) 1992-03-25 EP disclosed
EP-0239633-A4 PRESSURE-SENSITIVE ADHESIVE CONTAINING HEAT-SENSITIVE MATERIALS. AVERY INTERNATIONAL CORP (US) 1989-02-09 EP disclosed
US-4714655-A CASTING, PHOTOPOLYMERIZATION PREPOLYMER WITH ULTRAVIOLET OR ELECTRON BEAM RADIATION AVERY INTERNATIONAL CORPORATION (US) 1987-12-22 US disclosed
EP-0239633-A1 PRESSURE-SENSITIVE ADHESIVE CONTAINING HEAT-SENSITIVE MATERIALS. AVERY INTERNATIONAL CORP (US) 1987-10-07 EP disclosed
WO-1987001973-A1 PRESSURE-SENSITIVE ADHESIVE CONTAINING HEAT-SENSITIVE MATERIALS AVERY INTERNATIONAL CORPORATION (US) 1987-04-09 WO disclosed