SCHEMBL8672186

SCHEMBL8672186

OB(O)Oc1cccc(-c2ccccc2)c1.OB(O)Oc1cccc(-c2ccccc2)c1.OB(O)Oc1cccc(-c2ccccc2)c1.OB(O)Oc1cccc(-c2ccccc2)c1.[Na]

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.48
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
GGPS1 O95749 1/20 0.41
RXRA P19793 2/20 0.40
RXRB P28702 2/20 0.40
EPHX1 P07099 1/20 0.40
FABP7 O15540 1/20 0.40
FABP3 P05413 1/20 0.40
FABP5 Q01469 1/20 0.40
LTA4H P09960 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL1942125 0.98 MGLL (0.50) MGLLHDAC1HDAC2MRGPRX4GGPS1
SCHEMBL30683339 0.98 MGLL (0.50) MGLLHDAC1HDAC2MRGPRX4GGPS1
SCHEMBL29209615 0.96 MGLL (0.48) MGLLHDAC1HDAC2MRGPRX4GGPS1
SCHEMBL28049619 0.96 MGLL (0.48) MGLLHDAC1HDAC2MRGPRX4GGPS1
SCHEMBL31184155 0.84 TDP1 (0.41) MGLLRXRARXRB
SCHEMBL5459886 0.83 CRHBP (0.43) MGLLGGPS1
SCHEMBL27801555 0.83 HSD17B1 (0.55)
SCHEMBL30526473 0.83 HSD17B1 (0.55)
SCHEMBL29706426 0.82 GABRG2 (0.40)
SCHEMBL31184224 0.82 MEN1 (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0548826-B1 Diallyl ammonium-compounds, method for their preparation and their application HOECHST AG (DE) 1997-04-23 EP claimed
EP-0476648-B1 Polymeric ammonium borates and process for their preparation HOECHST AG (DE) 1995-06-21 EP claimed
EP-0507824-B1 BISCATIONIC ACID AMIDE AND ACID IMIDE DERIVATIVES AND PROCESS FOR PREPARING THEM HOECHST AG (DE) 1994-10-19 EP claimed
US-5329046-A Compounds with boron anions for charge control toners and developers for electrographic recording and charge controllers HOECHST AKTIENGESELLSCHAFT (DE) 1994-07-12 US claimed
EP-0548826-A2 Diallyl ammonium-compounds, method for their preparation and their application HOECHST AKTIENGESELLSCHAFT (DE) 1993-06-30 EP claimed
EP-0507824-A1 BISCATIONIC ACID AMIDE AND ACID IMIDE DERIVATIVES AND PROCESS FOR PREPARING THEM. HOECHST AG (DE) 1992-10-14 EP claimed
EP-0476648-A1 Polymeric ammonium borates and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1992-03-25 EP claimed
WO-1991009835-A1 BISCATIONIC ACID AMIDE AND ACID IMIDE DERIVATIVES AND PROCESS FOR PREPARING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1991-07-11 WO claimed
EP-0609718-B1 Ammonium salts of cyclic diallylpolysulfones CLARIANT GMBH (DE) 1998-12-23 EP disclosed
EP-0548826-B1 Diallyl ammonium-compounds, method for their preparation and their application HOECHST AG (DE) 1997-04-23 EP disclosed
US-5563016-A COLORLESS CHARGE CONTROL AGENT IN TONERS AND DEVELOPERS FOR ELECTROPHOTOGRAPHIC RECORDING AND CHARGE IMPROVING AGENT IN POWDERS AND PAINT FOR SURFACE COATING HOECHST AG (DE) 1996-10-08 US disclosed
US-5500323-A COPOLYMER OF DIALLYLAMMONIUM COMPOUND AND SULFUR DIOXIDE, ELECTROGRAPHY HOECHST AG (DE) 1996-03-19 US disclosed
US-5475119-A Colorless charge control agents in electrography HOECHST AKTIENGESELLSCHAFT (DE) 1995-12-12 US disclosed
EP-0476648-B1 Polymeric ammonium borates and process for their preparation HOECHST AG (DE) 1995-06-21 EP disclosed
EP-0609718-A2 Ammonium salts of cyclic diallylpolysulfones HOECHST AKTIENGESELLSCHAFT (DE) 1994-08-10 EP disclosed
EP-0548826-A2 Diallyl ammonium-compounds, method for their preparation and their application HOECHST AKTIENGESELLSCHAFT (DE) 1993-06-30 EP disclosed