SCHEMBL5872126

SCHEMBL5872126

C=C(C)C(=O)OCCS(=O)(=O)CCCCC

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.64
THRB P10828 1/20 0.47
CES1 P23141 5/20 0.39
FAAH O00519 3/20 0.39
CES2 O00748 3/20 0.39
CA2 P00918 1/20 0.38
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NAAA Q02083 1/20 0.34
DGKA P23743 1/20 0.34
HPGD P15428 1/20 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
SCHEMBL5872286 0.95 TSHR (0.61) TSHRTHRBCES1FAAHCES2
SCHEMBL5872171 0.88 TSHR (0.55) TSHRTHRBCA2ALDH1A1POLB
SCHEMBL9228965 0.88 THRB (0.53) TSHRTHRBCA2ALDH1A1POLB
SCHEMBL3291007 0.84 THRB (0.55) TSHRTHRBCA2ALDH1A1POLB
SCHEMBL5872182 0.84 TSHR (0.58) TSHRTHRBCA2ALDH1A1POLB
Hexane SCHEMBL10398498 0.82 TSHR (0.84) TSHRTHRBCES2ALDH1A1POLB
SCHEMBL9316932 0.81 THRB (0.47) TSHRTHRBCA2ALDH1A1POLB
SCHEMBL10203123 0.81 ALDH1A1 (0.55) TSHRCES1FAAHCES2CA2
SCHEMBL10712570 0.81 TSHR (0.75) TSHRTHRBFAAHCES2ALDH1A1
SCHEMBL3803599 0.80 FAAH (0.44) CES1FAAHCES2CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6559198-B2 A contact lens comprising a copolymer consisting essentially of from about 25 to about 60 weight percent of a ethylenically unsaturated fluorosulfone ester monomer having the general formula comonomer selected from the group consisting of NOVICKY NICK (CA) 2003-05-06 US claimed
US-20030027886-A1 Fluorocarbon-sulfone hydrophilic contact lenses, optical medical devices and compositions thereof NOVICKY NICK (CA) 2003-02-06 US claimed
EP-0231572-B1 Silicone-sulfone and silicone-fluorocarbon-sulfone gas permeable contact lenses and compositions thereof PROGRESSIVE OPTICAL RES LTD (CA) 1994-11-02 EP claimed
US-4748224-A Silicone-sulfone and silicone-fluorocarbon-sulfone gas permeable contact lenses and compositions thereof Devou, Maureen J. (CA) 1988-05-31 US claimed
EP-0231572-A2 Silicone-sulfone and silicone-fluorocarbon-sulfone gas permeable contact lenses and compositions thereof PROGRESSIVE OPTICAL RESEARCH LTD. (CA) 1987-08-12 EP claimed
US-7098282-B2 Fluorosulfone-silicone hydrogel, RGP contact lenses, optical medical devices and compositions thereof NOVICKY NICK 2006-08-29 US disclosed
US-20050176907-A1 Fluorosulfone-silicone hydrogel, RGP contact lenses, optical medical devices and compositions thereof NOVICKY NICK (CA) 2005-08-11 US disclosed
EP-1455201-A1 Fluorosulfone-silicone hydrogel RGP contact lenses, optical medical devices and compositions thereof Novicky, Nick N. (CA) 2004-09-08 EP disclosed
US-6559198-B2 A contact lens comprising a copolymer consisting essentially of from about 25 to about 60 weight percent of a ethylenically unsaturated fluorosulfone ester monomer having the general formula comonomer selected from the group consisting of NOVICKY NICK (CA) 2003-05-06 US disclosed
US-20030027886-A1 Fluorocarbon-sulfone hydrophilic contact lenses, optical medical devices and compositions thereof NOVICKY NICK (CA) 2003-02-06 US disclosed
EP-0231572-B1 Silicone-sulfone and silicone-fluorocarbon-sulfone gas permeable contact lenses and compositions thereof PROGRESSIVE OPTICAL RES LTD (CA) 1994-11-02 EP disclosed
US-5093447-A Contact lenses NOVICKY NICK N (CA) 1992-03-03 US disclosed
US-4948855-A COPOLYMER OF UNSATURATED SILOXANYLALKOXYESTER AND VINYL SILFONE PROGRESSIVE CHEMICAL RESEARCH, LTD. (CA) 1990-08-14 US disclosed
US-4861850-A CONTACT LENSES PROGRESSIVE CHEMICAL RESEARCH, LTD. (CA) 1989-08-29 US disclosed
US-4748224-A Silicone-sulfone and silicone-fluorocarbon-sulfone gas permeable contact lenses and compositions thereof Devou, Maureen J. (CA) 1988-05-31 US disclosed
US-4743106-A POLYMER HAVING AN ORGANOSILOXANYLALKOXY ESTER OF (METH)ACRYLIC ACID MONOMER; MACHINING Devou, Maureen J. (CA) 1988-05-10 US disclosed
EP-0231572-A2 Silicone-sulfone and silicone-fluorocarbon-sulfone gas permeable contact lenses and compositions thereof PROGRESSIVE OPTICAL RESEARCH LTD. (CA) 1987-08-12 EP disclosed