SCHEMBL8925191

SCHEMBL8925191

C=CC(=O)OC(CC)(CCCC)CCCCC

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.46
HPGD P15428 1/20 0.46
THRB P10828 5/20 0.40
THRA P10827 2/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
CES2 O00748 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
ATM Q13315 1/20 0.32
SMPD1 P17405 1/20 0.32
HCAR2 Q8TDS4 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
SCHEMBL31300058 0.97 TSHR (0.46) TSHRHPGDTHRBTHRAZDHHC20
SCHEMBL6046880 0.97 TSHR (0.46) TSHRHPGDTHRBTHRAZDHHC20
SCHEMBL31115218 0.95 TSHR (0.44) TSHRHPGDTHRBTHRAZDHHC20
SCHEMBL3247328 0.95 TSHR (0.47) TSHRHPGDTHRBTHRAZDHHC20
SCHEMBL3247446 0.93 TSHR (0.48) TSHRHPGDTHRBTHRAZDHHC20
Acrylic Acid SCHEMBL28979884 0.90 TSHR (0.43) TSHRHPGDTHRBTHRAZDHHC20
SCHEMBL27651693 0.88 TSHR (0.44) TSHRHPGDTHRBTHRAZDHHC20
SCHEMBL16291333 0.85 TSHR (0.42) TSHRHPGDTHRBTHRAALDH1A1
SCHEMBL15572265 0.85 TSHR (0.42) TSHRHPGDTHRBTHRAZDHHC20
Di(Hydroxyethyl)Ether SCHEMBL28414823 0.85 TSHR (0.42) TSHRHPGDTHRBTHRAZDHHC20

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
US-5688894-A Polyester resin powder coating compositions TIOXIDE SPECIALTIES LIMITED (GB) 1997-11-18 US disclosed
EP-0690110-A1 Polyester resin powder coating compositions TIOXIDE SPECIALTIES LIMITED (GB) 1996-01-03 EP disclosed