SCHEMBL1883203

SCHEMBL1883203

O=P(Sc1ccccc1)(Sc1ccccc1)Sc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.61
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.45
MGLL Q99685 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 1/20 0.39
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
CA5A P35218 2/20 0.38
FFAR1 O14842 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
HTT P42858 2/20 0.35

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
SCHEMBL1050147 0.83 KCNH2 (0.57) KCNH2CA2CA4CA5ACA12
SCHEMBL4441980 0.83 KCNH2 (0.62) KCNH2HPGDSMN1; SMN2MAPTMGLL
SCHEMBL3066816 0.79 KCNH2 (0.53) KCNH2HPGDSMN1; SMN2MAPTMGLL
SCHEMBL108542 0.78 KCNH2 (0.47) KCNH2HPGDSMN1; SMN2MAPTMGLL
SCHEMBL6827880 0.78 KCNH2 (0.47) KCNH2HPGDSMN1; SMN2MAPTMGLL
SCHEMBL3732748 0.78 KCNH2 (0.47) KCNH2HPGDSMN1; SMN2MAPTMGLL
SCHEMBL11782607 0.78 KCNH2 (0.47) KCNH2HPGDSMN1; SMN2MAPTMGLL
SCHEMBL111556 0.78 KCNH2 (0.47) KCNH2HPGDSMN1; SMN2MAPTMGLL
SCHEMBL11219090 0.78 KCNH2 (0.47) KCNH2HPGDSMN1; SMN2MAPTMGLL
SCHEMBL2502560 0.78 KCNH2 (0.47) KCNH2HPGDSMN1; SMN2MAPTMGLL

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-0619361-B1 Phosphorothioate coking inhibitors NALCO CHEMICAL CO (US) 1998-08-05 EP claimed
EP-0619361-A2 Phosphorothioate coking inhibitors NALCO CHEMICAL COMPANY (US) 1994-10-12 EP claimed
US-5354450-A Phosphorothioate coking inhibitors NALCO CHEMICAL COMPANY (US) 1994-10-11 US claimed
JP-6184375-A None JP disclosed
US-20110100015-A1 GAS TURBINE SYSTEM TO INHIBIT COKE FORMATION AND METHODS OF USE GENERAL ELECTRIC COMPANY (US) 2011-05-05 US disclosed
US-6040091-A HAVING FIRE RETARDANT PROPERTIES TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2000-03-21 US disclosed
EP-0619361-B1 Phosphorothioate coking inhibitors NALCO CHEMICAL CO (US) 1998-08-05 EP disclosed
EP-0619361-A2 Phosphorothioate coking inhibitors NALCO CHEMICAL COMPANY (US) 1994-10-12 EP disclosed
US-5354450-A Phosphorothioate coking inhibitors NALCO CHEMICAL COMPANY (US) 1994-10-11 US disclosed
JP-H06184375-A FLAME-RETARDANT POLYPROPYLENE RESIN COMPOSITION TOSOH CORP 1994-07-05 JP disclosed
US-4340705-A PHOSPHORUS COMPONENT COORDINATION CATALYSTS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1982-07-20 US disclosed