SCHEMBL8428871

SCHEMBL8428871

O=S(=O)(OC[C@H]1CCc2ccccc2O1)C(F)(F)F

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.70
HTR1A P08908 5/20 0.44
SIGMAR1 Q99720 2/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
SLC6A4 P31645 1/20 0.41
HTR1D P28221 3/20 0.39
PTGDR Q13258 1/20 0.37

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
SCHEMBL8426890 1.00 CA2 (0.70) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL7635280 1.00 CA2 (0.70) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL4823723 0.82 CA2 (0.75) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL6346222 0.82 CA2 (0.75) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL5274616 0.82 CA2 (1.00) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL4970970 0.78 CA2 (0.68) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL7346088 0.78 CA2 (0.68) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL6348557 0.78 CA2 (0.68) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL4489707 0.76 CYP1A2 (0.38) CA2
SCHEMBL4489705 0.76 CYP1A2 (0.38) CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0295945-B1 Negative silver halide photographic light-sensitive material capable of being handled in light room KONISHIROKU PHOTO IND (JP) 1995-02-08 EP claimed
EP-0448254-B1 Process and intermediates for 2R-benzyl-chroman-6-carbaldehyde PFIZER (US) 1995-01-18 EP claimed
EP-0448254-A2 Process and intermediates for 2R-benzyl-chroman-6-carbaldehyde PFIZER INC. (US) 1991-09-25 EP claimed
US-5925662-A OXIDASE INHIBITORS SYNTHELABO (FR) 1999-07-20 US disclosed
EP-0533781-B1 3-ARYL-2-HYDROXYPROPIONIC ACID DERIVATIVES AND ANALOGS AS HYPOGLYCEMIC AGENTS PFIZER (US) 1997-02-26 EP disclosed
US-5438074-A 3-aryl-2-hydroxypropionic acid derivatives and analogs as hypoglycemic agents PFIZER INC. (US) 1995-08-01 US disclosed
EP-0448254-B1 Process and intermediates for 2R-benzyl-chroman-6-carbaldehyde PFIZER (US) 1995-01-18 EP disclosed
US-5306726-A 3-aryl-2-hydroxypropionic acid derivatives and analogs as hypoglycemic agents PFIZER INC. (US) 1994-04-26 US disclosed
US-5232945-A 3-aryl-2-hydroxypropionic acid derivatives and analogs as antihypertensives PFIZER INC. (US) 1993-08-03 US disclosed
EP-0533781-A1 3-ARYL-2-HYDROXYPROPIONIC ACID DERIVATIVES AND ANALOGS AS HYPOGLYCEMIC AGENTS. PFIZER (US) 1993-03-31 EP disclosed
US-5089637-A PROCESS AND INTERMEDIATES FOR 2R-BENZYL-CHROMAN-6-CARBALDEHYDE PFIZER INC. (US) 1992-02-18 US disclosed
US-5089637-A PROCESS AND INTERMEDIATES FOR 2R-BENZYL-CHROMAN-6-CARBALDEHYDE PFIZER INC. (US) 1992-02-18 US disclosed
WO-1991019702-A1 3-ARYL-2-HYDROXYPROPIONIC ACID DERIVATIVES AND ANALOGS AS HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1991-12-26 WO disclosed
EP-0448254-A2 Process and intermediates for 2R-benzyl-chroman-6-carbaldehyde PFIZER INC. (US) 1991-09-25 EP disclosed
EP-0448254-A2 Process and intermediates for 2R-benzyl-chroman-6-carbaldehyde PFIZER INC. (US) 1991-09-25 EP disclosed