SCHEMBL6446004

SCHEMBL6446004

O=C(F)c1cccc(Cl)c1Cl

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.65
ERCC5 P28715 1/20 0.52
FEN1 P39748 1/20 0.52
P2RX7 Q99572 3/20 0.50
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
JAK2 O60674 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
TAS1R2 Q8TE23 1/20 0.47
ALDH1A1 P00352 4/20 0.46
POLB P06746 1/20 0.43
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL16952899 0.81 TSHR (0.58) TSHRERCC5FEN1P2RX7CES2
SCHEMBL6444922 0.81 CES2 (0.65) TSHRERCC5FEN1CES2CES1
SCHEMBL7032023 0.81 TSHR (0.71) TSHRERCC5FEN1P2RX7CES2
SCHEMBL9693738 0.80 KAT6A (0.47) TSHRP2RX7CES2CES1ALDH1A1
SCHEMBL97298 0.79 TSHR (1.00) TSHRERCC5FEN1P2RX7CES2
SCHEMBL2831621 0.79 TSHR (0.68) TSHRERCC5FEN1P2RX7CES2
SCHEMBL29904615 0.79 TSHR (1.00) TSHRERCC5FEN1P2RX7CES2
SCHEMBL93365 0.79 TSHR (0.68) TSHRERCC5FEN1P2RX7CES2
Fluoride SCHEMBL6446007 0.77 TSHR (0.95) TSHRERCC5FEN1P2RX7CES2
SCHEMBL2048711 0.77 TSHR (0.95) TSHRERCC5FEN1P2RX7CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1233010-B1 Method for production of organic fluorine compound NIPPON CATALYTIC CHEM IND (JP) 2005-06-15 EP disclosed
EP-0899256-B1 Method for production of organic fluorine compound NIPPON CATALYTIC CHEM IND (JP) 2003-08-06 EP disclosed
EP-1233010-A1 Method for production of organic fluorine compound Nippon Shokubai Co., Ltd. (JP) 2002-08-21 EP disclosed
US-6392084-B1 FLUORINATION OF AN ORGANO(BROMINE OR CHLORIDE) COMPOUND IN BENZONITRILE SOLVENT NIPPON SHOKUBAI CO., LTD. (JP) 2002-05-21 US disclosed
EP-0899256-A2 Method for production of organic fluorine compound NIPPON SHOKUBAI CO., LTD. (JP) 1999-03-03 EP disclosed
EP-0885249-A2 FLUORINATION PROCESS USING HYDROGEN FLUORIDE-CONTAINING FLUORINATING AGENTS AlliedSignal Inc. (US) 1998-12-23 EP disclosed
EP-0885166-A1 PROCESS FOR HYDROGEN FLUORIDE SEPARATION AlliedSignal Inc. (US) 1998-12-23 EP disclosed
US-5705717-A Fluorination process using hydrogen fluoride-containing fluorinating agents ALLIEDSIGNAL INC. (US) 1998-01-06 US disclosed
WO-1997032809-A1 PROCESS FOR HYDROGEN FLUORIDE SEPARATION ALLIEDSIGNAL INC. (US) 1997-09-12 WO disclosed
WO-1997032907-A2 FLUORINATION PROCESS USING HYDROGEN FLUORIDE-CONTAINING FLUORINATING AGENTS ALLIEDSIGNAL INC. (US) 1997-09-12 WO disclosed
US-5632966-A Process for hydrogen fluoride separation ALLIEDSIGNAL INC. (US) 1997-05-27 US disclosed