SCHEMBL9800786

SCHEMBL9800786

FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
ALDH1A1 P00352 1/20 0.48
PTPN1 P18031 2/20 0.38
LMNA P02545 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA5A P35218 1/20 0.37
CA9 Q16790 1/20 0.37
KCNN4 O15554 3/20 0.36
KIF11 P52732 1/20 0.36
ELANE P08246 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.32
MAPK1 P28482 1/20 0.32
NR1H2 P55055 2/20 0.31
NR1H3 Q13133 2/20 0.31
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31
PTPN5 P54829 1/20 0.31

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
SCHEMBL1421315 1.00 TSHR (0.48) TSHRALDH1A1PTPN1LMNACA1
SCHEMBL10453463 1.00 TSHR (0.48) TSHRALDH1A1PTPN1LMNACA1
SCHEMBL15320774 1.00 TSHR (0.48) TSHRALDH1A1PTPN1LMNACA1
SCHEMBL1421122 1.00 TSHR (0.48) TSHRALDH1A1PTPN1LMNACA1
SCHEMBL3390346 0.97 TSHR (0.50) TSHRALDH1A1PTPN1LMNACA1
SCHEMBL30619668 0.92 TSHR (0.55) TSHRALDH1A1PTPN1CA1CA2
Dimethylamine SCHEMBL4059229 0.91 KCNN4 (0.41) TSHRALDH1A1PTPN1LMNACA1
SCHEMBL11696796 0.90 TSHR (0.52) TSHRALDH1A1PTPN1CA1CA2
SCHEMBL673282 0.87 LMNA (0.43) LMNACA1CA2THRBNR1H2
SCHEMBL1421311 0.87 KIF11 (0.56) TSHRALDH1A1PTPN1KIF11MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009039181-A2 SULFONAMIDE-BASED ORGANOCATALYSTS AND METHOD FOR THEIR USE STATE OF OREGON ACTING BY & THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OR. STATE UNIV. (US) 2009-03-26 WO disclosed
EP-0245679-B1 DEHALOGENATION PROCESS ETHYL CORPORATION (US) 1991-03-13 EP disclosed
US-4814497-A Dehalogenation process ETHYL CORPORATION (US) 1989-03-21 US disclosed
EP-0245679-A2 Dehalogenation process ETHYL CORPORATION (US) 1987-11-19 EP disclosed
EP-0155093-B1 METHOD FOR PRODUCTION OF FLUORINE-CONTAINING AROMATIC DERIVATIVE NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1987-10-21 EP disclosed
US-4631151-A REACTING DI(HALOACYL)PEROXIDE WITH AROMATIC HYDROCARBON NIPPON OIL & FARS CO., LTD. (JP) 1986-12-23 US disclosed
EP-0155093-A2 Method for production of fluorine-containing aromatic derivative NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1985-09-18 EP disclosed
US-4347376-A Method of making and polymerizing perfluoroalkylene acetylene compounds FLUORCHEM INC. (US) 1982-08-31 US disclosed