SCHEMBL28093702

SCHEMBL28093702

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.40
TSHR P16473 8/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 5/20 0.34
TP53 P04637 3/20 0.34
HIF1A Q16665 3/20 0.34
CYP3A4 P08684 2/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
THRA P10827 2/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL28853858 0.84 TSHR (0.35) THRBTSHRHPGDALDH1A1TP53
SCHEMBL7558348 0.82 TSHR (0.40) THRBTSHRHPGDALDH1A1TP53
SCHEMBL6441784 0.82 TSHR (0.50) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL27708474 0.82 THRB (0.36) THRBTSHRHPGDALDH1A1TP53
Ammonia Solution, Strong SCHEMBL28082914 0.81 TSHR (0.39) THRBTSHRHPGDALDH1A1TP53
SCHEMBL27873393 0.78 ADORA3 (0.32) ADORA3PPARGPPARA
SCHEMBL10623591 0.78 THRB (0.41) THRBTSHRHPGDALDH1A1TP53
SCHEMBL28211112 0.78 THRB (0.41) THRBTSHRHPGDALDH1A1TP53
Dimebutic Acid SCHEMBL27899678 0.77 THRB (0.38) THRBTSHRHPGDALDH1A1TP53
SCHEMBL302801 0.77 THRB (0.43) THRBTSHRHPGDALDH1A1TP53

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
CN-105593293-B Photocurable resin composition for adhesive film and adhesive film 株式会社LG化学 2019-03-22 CN disclosed
CN-104640951-B Pressure sensitive adhesive composition 株式会社LG化学 2017-07-21 CN disclosed
CN-104640953-B Pressure sensitive adhesive composition 株式会社LG化学 2017-04-12 CN disclosed
CN-104640952-B Pressure sensitive adhesive composition 株式会社LG化学 2016-08-17 CN disclosed