SCHEMBL328799

SCHEMBL328799

C=Cc1ccc(CC(P(=O)(O)O)P(=O)(O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.45
ALDH1A1 P00352 1/20 0.41
LAP3 P28838 3/20 0.38
PGK1 P00558 2/20 0.38
PGK2 P07205 2/20 0.38
ANPEP P15144 1/20 0.38
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
ACP3 P15309 2/20 0.37
PTPRC P08575 1/20 0.34
CTSC P53634 1/20 0.33

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
SCHEMBL3712671 0.80 ALDH1A1 (0.39) ALDH1A1TAS1R3TAS1R1TDP1CTSC
SCHEMBL9633047 0.79 FDPS (0.42) FDPSLAP3ANPEPACP3PTPRC
SCHEMBL633379 0.79 PGK1 (0.55) ALDH1A1PGK1PGK2TAS1R3TAS1R1
SCHEMBL328798 0.77 TAS1R3 (0.37) FDPSALDH1A1LAP3TAS1R3TAS1R1
SCHEMBL3268592 0.77 ACP3 (0.71) LAP3ANPEPACP3
SCHEMBL9638742 0.76 FDPS (0.50) FDPSLAP3ANPEP
SCHEMBL24146430 0.76 ALDH1A1 (0.52) ALDH1A1TAS1R3TAS1R1TDP1CTSC
SCHEMBL4881250 0.76 GRIN2D (0.44) ALDH1A1PGK1PGK2TDP1
SCHEMBL21074632 0.75 FDPS (0.49) FDPSLAP3PGK1PGK2ANPEP
SCHEMBL743405 0.75 FDPS (0.50) FDPSALDH1A1LAP3PGK1PGK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9963592-B2 Modified colorants and inkjet ink compositions comprising modified colorants CABOT CORPORATION (US) 2018-05-08 US disclosed
US-20170306156-A1 MODIFIED COLORANTS AND INKJET INK COMPOSITIONS COMPRISING MODIFIED COLORANTS CABOT CORPORATION 2017-10-26 US disclosed
US-9725598-B2 Modified colorants and inkjet ink compositions comprising modified colorants CABOT CORPORATION (US) 2017-08-08 US disclosed
US-8404144-B2 Compositions including polymerizable bisphosphonic acids and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-03-26 US disclosed
EP-2407142-A1 Use of polymerizable bisphosphonic acids for the treatment of tooth surfaces that are not pretreated with phosphoric acid 3M Innovative Properties Company (US) 2012-01-18 EP disclosed
WO-2010135167-A1 COPOLYELECTROLYTE MONOMERS BEARING MULTIPLE ACID GROUPS ARKEMA INC. (US) 2010-11-25 WO disclosed
EP-1951819-B1 MODIFIED COLORANTS AND INKJET INK COMPOSITIONS COMPRISING MODIFIED COLORANTS CABOT CORP (US) 2010-04-14 EP disclosed
US-20090075239-A1 COMPOSITIONS INCLUDING POLYMERIZABLE BISPHOSPHONIC ACIDS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY 2009-03-19 US disclosed
US-20070100023-A1 Modified colorants and inkjet ink compositions comprising modified colorants CABOT CORPORATION 2007-05-03 US disclosed
EP-1578377-A1 COMPOSITIONS INCLUDING POLYMERIZABLE BISPHOSPHONIC ACIDS AND METHODS 3M Innovative Properties Company (US) 2005-09-28 EP disclosed
US-20040206932-A1 Compositions including polymerizable bisphosphonic acids and methods 3M INNOVATIVE PROPERTIES COMPANY 2004-10-21 US disclosed
WO-2004060327-A1 COMPOSITIONS INCLUDING POLYMERIZABLE BISPHOSPHONIC ACIDS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-07-22 WO disclosed