SCHEMBL6046880

SCHEMBL6046880

C=CC(=O)OC(CC)(CCCCCC)CCCCCCCCC

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
HPGD P15428 1/20 0.46
THRB P10828 3/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
THRA P10827 1/20 0.39
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
CES2 O00748 1/20 0.37
GGPS1 O95749 3/20 0.35
SMPD1 P17405 1/20 0.35
FDPS P14324 4/20 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
SCHEMBL31300058 1.00 TSHR (0.46) TSHRHPGDTHRBZDHHC20ZDHHC2
SCHEMBL8925191 0.97 TSHR (0.46) TSHRHPGDTHRBZDHHC20ZDHHC2
SCHEMBL31115218 0.95 TSHR (0.44) TSHRHPGDTHRBZDHHC20ZDHHC2
SCHEMBL3247328 0.95 TSHR (0.47) TSHRHPGDTHRBZDHHC20ZDHHC2
Acrylic Acid SCHEMBL28979884 0.90 TSHR (0.43) TSHRHPGDTHRBZDHHC20ZDHHC2
SCHEMBL3247446 0.89 TSHR (0.48) TSHRHPGDTHRBZDHHC20ZDHHC2
SCHEMBL16291333 0.85 TSHR (0.42) TSHRHPGDTHRBTHRAALDH1A1
SCHEMBL27651693 0.85 TSHR (0.44) TSHRHPGDTHRBZDHHC20ZDHHC2
Di(Hydroxyethyl)Ether SCHEMBL28414823 0.85 TSHR (0.42) TSHRHPGDTHRBZDHHC20THRA
SCHEMBL21955707 0.84 THRB (0.40) TSHRHPGDTHRBZDHHC20ZDHHC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0883137-B1 THIN APROTIC ELECTROLYTE FILM, IMMOBILIZED LIQUID FILM CONDUCTOR, AND POLYMER CELL TONEN SEKIYUKAGAKU KK (JP) 2006-03-22 EP disclosed
EP-0939409-B1 THIN APROTIC ELECTROLYTE FILMS, IMMOBILIZED LIQUID MEMBRANE CONDUCTORS, AND BATTERIES TONEN SEKIYUKAGAKU KK (JP) 2004-11-24 EP disclosed
US-6235432-B1 POLYOLEFIN TONEN CHEMICAL COMPANY (JP) 2001-05-22 US disclosed
US-6218053-B1 Thin aprotic electrolyte films, immobilized liquid membrane conductors, and batteries KAWABI & ASSOCIATES (JP) 2001-04-17 US disclosed
EP-0939409-A1 THIN APROTIC ELECTROLYTE FILMS, IMMOBILIZED LIQUID MEMBRANE CONDUCTORS, AND BATTERIES Tonen Chemical Corporation (JP) 1999-09-01 EP disclosed
EP-0883137-A1 THIN APROTIC ELECTROLYTE FILM, IMMOBILIZED LIQUID FILM CONDUCTOR, AND POLYMER CELL Tonen Chemical Corporation (JP) 1998-12-09 EP disclosed