SCHEMBL3798205

SCHEMBL3798205

C=C(C)C(=O)O[C@@H]([C@H](O)CO)[C@@H](O)CO

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.39
THRB P10828 1/20 0.34
TGFBR1 P36897 1/20 0.33
PDE4A P27815 1/20 0.30

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
SCHEMBL12430835 0.96 TSHR (0.41) TSHRALDH1A1THRBTGFBR1PDE4A
SCHEMBL2032167 0.96 TSHR (0.41) TSHRALDH1A1THRBTGFBR1PDE4A
SCHEMBL6014081 0.92 TSHR (0.42) TSHRALDH1A1THRBTGFBR1
SCHEMBL12585313 0.89 TSHR (0.36) TSHRALDH1A1THRBTGFBR1
SCHEMBL13670752 0.84 TSHR (0.33) TSHRALDH1A1
SCHEMBL11710808 0.83 TSHR (0.41) TSHRALDH1A1THRBTGFBR1PDE4A
SCHEMBL2489434 0.83 TSHR (0.33) TSHRALDH1A1
SCHEMBL13576992 0.83 TSHR (0.33) TSHRALDH1A1
SCHEMBL2489327 0.83 TSHR (0.33) TSHRALDH1A1
SCHEMBL2491057 0.83 TSHR (0.33) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273802-B2 Silicones formed from an oxygen permeable component and a vinyl carbonate, carbamate ester or amide beta-substituted vinyl pyrrolidone; improve wettability of the lens without a surface treatment JOHNSON & JOHNSON VISION CARE, INC. (US) 2012-09-25 US disclosed
EP-1890171-B1 Wettable hydrogels comprising reactive, hydrophilic, polymeric internal wetting agents JOHNSON & JOHNSON VISION CARE (US) 2010-12-22 EP disclosed
CN-100578263-C Wettable hydrogels comprising reactive, hydrophilic, polymeric internal wetting agents JOHNSON & JOHNSON VISION CARE 2010-01-06 CN disclosed
US-20080275156-A1 WETTABLE HYDROGELS COMPRISING REACTIVE, HYDROPHILIC, POLYMERIC INTERNAL WETTING AGENTS JOHNSON & JOHNSON VISION CARE, INC. 2008-11-06 US disclosed
US-20080197324-A1 OPHTHALMIC COMPOSITION CONTAINING A POLYOL-ACID COPOLYMER BAUSCH & LOMB INCORPORATED 2008-08-21 US disclosed
EP-1800150-B1 WETTABLE HYDROGELS COMPRISING REACTIVE, HYDROPHILIC, POLYMERIC INTERNAL WETTING AGENTS JOHNSON & JOHNSON VISION CARE (US) 2008-08-06 EP disclosed
EP-1890171-A2 Wettable hydrogels comprising reactive, hydrophilic, polymeric internal wetting agents Johnson & Johnson Vision Care, Inc. (US) 2008-02-20 EP disclosed
US-20070264503-A1 Polymers comprising polyhydric alcohols, medical devices modified with same, and method of making BAUSCH & LOMB INCORPORATED 2007-11-15 US disclosed
US-20070264509-A1 Copolymer and Medical Device with the Copolymer BAUSCH & LOMB INCORPORATED 2007-11-15 US disclosed
CN-101065686-A Wettable hydrogels containing reactive hydrophilic polymeric internal wetting agents JOHNSON & JOHNSON VISION CARE (US) 2007-10-31 CN disclosed
US-7249848-B2 Wettable hydrogels comprising reactive, hydrophilic, polymeric internal wetting agents JOHNSON & JOHNSON VISION CARE, INC. (US) 2007-07-31 US disclosed
EP-1800150-A1 WETTABLE HYDROGELS COMPRISING REACTIVE, HYDROPHILIC, POLYMERIC INTERNAL WETTING AGENTS Johnson & Johnson Vision Care, Inc. (US) 2007-06-27 EP disclosed
WO-2006039466-A1 WETTABLE HYDROGELS COMPRISING REACTIVE, HYDROPHILIC, POLYMERIC INTERNAL WETTING AGENTS JOHNSON & JOHNSON VISION CARE, INC. (US) 2006-04-13 WO disclosed
US-20060072069-A1 Wettable hydrogels comprising reactive, hydrophilic, polymeric internal wetting agents JOHNSON & JOHNSON VISION CARE, INC. 2006-04-06 US disclosed