SCHEMBL195939

SCHEMBL195939

CCOC(=O)CC(O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
ALDH1A1 P00352 7/20 0.41
TRPA1 O75762 1/20 0.41
ALOX15 P16050 3/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSD17B10 Q99714 2/20 0.38
CHRM1 P11229 1/20 0.38
ADORA1 P30542 1/20 0.38
CYP1A2 P05177 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.35
CETP P11597 1/20 0.34
SOAT1 P35610 1/20 0.34
HTT P42858 2/20 0.34
CYP2D6 P10635 1/20 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
SCHEMBL16190580 1.00 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1532632 1.00 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL19466094 0.86 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL17275158 0.86 ALDH1A1 (0.45) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL15286426 0.86 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL18120819 0.86 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL899414 0.84 GAA (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL9362556 0.84 NAAA (0.34) ALDH1A1TSHRTDP1CHRM1LMNA
SCHEMBL6328626 0.83 ALDH1A1 (0.46) ALDH1A1TSHRHSD17B10
SCHEMBL6322471 0.83 ALDH1A1 (0.46) ALDH1A1TSHRHSD17B10

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 297 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115594953-A Anti-ultraviolet PET (polyethylene terephthalate) film for solar cell back plate and preparation method thereof 苏州易昇光学材料股份有限公司(CN) 2023-01-13 CN claimed
US-20030194378-A1 Novel aerosol formulation containing a polar fluorinated molecule ASTRAZENECA AB (SE) 2003-10-16 US claimed
EP-1303258-A1 NOVEL AEROSOL FORMULATION CONTAINING A POLAR FLUORINATED MOLECULE AstraZeneca AB (SE) 2003-04-23 EP claimed
WO-2002003958-A1 NOVEL AEROSOL FORMULATION CONTAINING A POLAR FLUORINATED MOLECULE ASTRAZENECA AB (SE) 2002-01-17 WO claimed
EP-0736606-B1 Process for the enzymatic preparation of intermediates for the synthesis of befloxatone SANOFI SYNTHELABO (FR) 2002-01-02 EP claimed
US-5716841-A Process for the resolution of ethyl 4,4,4-trifluoro-3(R)-hydroxybutanoate using lipase from candida SYNTHELABO (FR) 1998-02-10 US claimed
EP-0675879-A1 NOVEL SPIN-TRAP MOLECULE 2-TRIFLUOROMETHYL-DMPO Oklahoma Medical Research Foundation (US) 1995-10-11 EP claimed
WO-1995011232-A1 NOVEL SPIN-TRAP MOLECULE 2-TRIFLUOROMETHYL-DMPO OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 1995-04-27 WO claimed
US-5405967-A Trapping free radicals OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 1995-04-11 US claimed
EP-0332392-B1 Dioxane liquid crystal compounds SHOWA SHELL SEKIYU (JP) 1994-12-07 EP claimed
EP-0332392-A2 Dioxane liquid crystal compounds Showa Shell Sekiyu Kabushiki Kaisha (JP) 1989-09-13 EP claimed
JP-8289799-A None JP disclosed
JP-2040343-A None JP disclosed
JP-3254694-A None JP disclosed
JP-5260992-A None JP disclosed
EP-0096995-A2 Pyrazolopyridine compounds ICI AMERICAS INC. (US) 1983-12-28 EP disclosed
EP-0094175-A1 Pyrazolopyridine compounds ICI AMERICAS INC. (US) 1983-11-16 EP disclosed
EP-0080220-A1 Dihydropyridines, methods for their production and their formulation and use as pharmaceuticals FISONS plc (GB) 1983-06-01 EP disclosed
US-4241076-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1980-12-23 US disclosed
US-4154935-A Halogen substituted mercaptoacylamino acids E. R. SQUIBB & SONS, INC. (US) 1979-05-15 US disclosed