SCHEMBL4776683

SCHEMBL4776683

C=CC(=O)OCCCSCCCSC

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.55
ALDH1A1 P00352 4/20 0.55
CYP3A4 P08684 2/20 0.55
HPGD P15428 1/20 0.55
TP53 P04637 3/20 0.46
HIF1A Q16665 3/20 0.46
HSD17B10 Q99714 1/20 0.46
THRB P10828 2/20 0.39
ATM Q13315 1/20 0.36
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HCAR2 Q8TDS4 3/20 0.33

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
SCHEMBL4774300 0.93 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL22861291 0.89 TSHR (0.68) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL4888846 0.87 TSHR (0.67) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL10033083 0.84 TSHR (0.72) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL10427255 0.83 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL28541902 0.83 TSHR (0.72) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL4887765 0.82 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL21246644 0.82 TSHR (0.76) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL17416309 0.81 TSHR (0.68) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL2828789 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124194-B2 Ink composition comprising a compound with a sulfide bond and an ink jet recording method FUJIFILM CORPORATION (JP) 2012-02-28 US disclosed
US-8124194-B2 Ink composition comprising a compound with a sulfide bond and an ink jet recording method FUJIFILM CORPORATION (JP) 2012-02-28 US disclosed
US-20090136678-A1 Ink composition and ink jet recording method FUJIFILM CORPORATION (JP) 2009-05-28 US disclosed
US-20090136678-A1 Ink composition and ink jet recording method FUJIFILM CORPORATION (JP) 2009-05-28 US disclosed
EP-1908788-A1 Novel biomimetic hydrogel materials The Regents of the University of California (US) 2008-04-09 EP disclosed
EP-1017737-B1 NOVEL BIOMIMETIC HYDROGEL MATERIALS UNIV CALIFORNIA (US) 2008-01-23 EP disclosed
US-6552103-B1 Soft contact lenses and biomedical implants THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-04-22 US disclosed
EP-1017737-A4 NOVEL BIOMIMETIC HYDROGEL MATERIALS UNIV CALIFORNIA (US) 2002-06-26 EP disclosed
US-6107365-A A COPOLYMER OF METHACRYLATE FUNCTIONAL SULFOXIDE, SULFIDE OR SULFONE MONOMERS AND A COMONOMER SELECTED FROM HYDROPHILIC OR HYDROPHOBIC MATERIAL SELECTED FROM ACRYLMIDE, ACRYLATE, METHACRYLATE, SILOXANE, VINYL AND A DERIVATIVE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-08-22 US disclosed
EP-1017737-A1 NOVEL BIOMIMETIC HYDROGEL MATERIALS The Regents of the University of California (US) 2000-07-12 EP disclosed
WO-1999011692-A1 NOVEL BIOMIMETIC HYDROGEL MATERIALS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-03-11 WO disclosed