SCHEMBL5315536

SCHEMBL5315536

FC(F)(F)C(c1ccccc1S)(c1ccccc1S)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
IDO1 P14902 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
ACP3 P15309 1/20 0.32
KIF11 P52732 2/20 0.31
HSD11B1 P28845 1/20 0.31
NFKB1 P19838 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
P2RX7 Q99572 1/20 0.31
HTR2C P28335 1/20 0.31
MEN1 O00255 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
SCHEMBL29427756 0.81 ALDH1A1 (0.44) ALDH1A1TSHRPOLBTDP1L3MBTL1
SCHEMBL72183 0.81 ALDH1A1 (0.44) ALDH1A1TSHRPOLBTDP1L3MBTL1
SCHEMBL944584 0.80 ALDH1A1 (0.36) ALDH1A1TSHRPOLBTDP1L3MBTL1
SCHEMBL28228479 0.79 ALDH1A1 (0.43) ALDH1A1TSHRPOLBTDP1L3MBTL1
Ammonia Solution, Strong SCHEMBL28874104 0.79 ALDH1A1 (0.43) ALDH1A1TSHRPOLBTDP1L3MBTL1
Hydrochloric Acid SCHEMBL27584626 0.79 ALDH1A1 (0.48) ALDH1A1TSHRPOLBTDP1L3MBTL1
SCHEMBL6759280 0.78 MAPK1 (0.33) ALDH1A1TSHRPOLBTDP1L3MBTL1
SCHEMBL27306666 0.77 ALDH1A1 (0.38) ALDH1A1TSHRPOLBTDP1L3MBTL1
SCHEMBL27305380 0.75 ALDH1A1 (0.36) ALDH1A1TSHRPOLBTDP1L3MBTL1
SCHEMBL7937247 0.72 KCNN4 (0.39) ALDH1A1POLBTDP1L3MBTL1KIF11

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
US-4720590-A [2,2,2-trihalo-1-(trihalomethyl)]ethylidene-bisbenzenethiols HUGHES AIRCRAFT COMPANY (US) 1988-01-19 US claimed
EP-0129561-B1 2,2,2-TRIHALO-1-(TRIHALOMETHYL)ETHYLIDENE-BISBENZENETHIOLS Hughes Aircraft Company (US) 1986-02-12 EP claimed
EP-0129561-A1 2,2,2-TRIHALO-1-(TRIHALOMETHYL)ETHYLIDENE-BISBENZENETHIOLS. HUGHES AIRCRAFT CO (US) 1985-01-02 EP claimed
WO-1984002524-A1 2,2,2-TRIHALO-1-(TRIHALOMETHYL)ETHYLIDENE-BISBENZENETHIOLS HUGHES AIRCRAFT CO (US) 1984-07-05 WO claimed
WO-2007079004-A2 FLUORINATED POLYARYLENETHIOETHERSULFONE POLYMERS HAVING SULFONATE PENDANTS AND PHENYL-ENDCAPPING GROUPS FOR USE AS PROTON EXCHANGE MEMBRANES UNIVERSITY OF DAYTON (US) 2007-07-12 WO disclosed
JP-2006009026-A FLUORINE-CONTAINING ELASTOMER COMPOSITION YUNIMATEKKU KK 2006-01-12 JP disclosed
US-5998564-A CURING AGENT FOR FLUOROPOLYMERS NIPPON MEKTRON, LIMITED (JP) 1999-12-07 US disclosed
US-4720590-A [2,2,2-trihalo-1-(trihalomethyl)]ethylidene-bisbenzenethiols HUGHES AIRCRAFT COMPANY (US) 1988-01-19 US disclosed