SCHEMBL271001

SCHEMBL271001

Nc1ccc(CC(O)(P(=O)(O)O)P(=O)(O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FDPS P14324 11/20 1.00
PDE3A Q14432 2/20 0.51
BTN3A1 O00481 1/20 0.51
GGPS1 O95749 3/20 0.49
ANPEP P15144 1/20 0.42
ERAP2 Q6P179 1/20 0.42
GFER P55789 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.40
ADRB3 P13945 1/20 0.40
PDE4D Q08499 1/20 0.40
LOXL2 Q9Y4K0 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
SCHEMBL18107090 0.98 FDPS (0.96) FDPSPDE3ABTN3A1GGPS1ANPEP
SCHEMBL29353175 0.87 FDPS (0.77) FDPSPDE3ABTN3A1GGPS1ANPEP
SCHEMBL30683242 0.83 FDPS (0.71) FDPSPDE3ABTN3A1GGPS1
SCHEMBL10881272 0.82 FDPS (0.69) FDPSPDE3ABTN3A1GGPS1ALDH1A1
SCHEMBL11045801 0.82 FDPS (0.69) FDPSPDE3ABTN3A1GGPS1TSHR
SCHEMBL23197624 0.82 FDPS (0.69) FDPSPDE3ABTN3A1GGPS1
SCHEMBL10882178 0.82 FDPS (0.69) FDPSPDE3ABTN3A1GGPS1
SCHEMBL12980777 0.81 FDPS (0.68) FDPSPDE3ABTN3A1GGPS1LMNA
SCHEMBL1853433 0.81 FDPS (0.68) FDPSGGPS1ANPEPERAP2GFER
SCHEMBL3846830 0.81 FDPS (1.00) FDPSPDE3ABTN3A1GGPS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9896583-B2 High structure carbon blacks CABOT CORPORATION 2018-02-20 US disclosed
US-20160355686-A1 HIGH STRUCTURE CARBON BLACKS CABOT CORPORATION 2016-12-08 US disclosed
US-9388300-B2 High structure carbon blacks CABOT CORPORATION (US) 2016-07-12 US disclosed
US-9150758-B2 Polishing composition, polishing method using same, and method for producing semiconductor device FUJIMI INCORPORATED (JP) 2015-10-06 US disclosed
US-20150259513-A1 HIGH STRUCTURE CARBON BLACKS CABOT CORPORATION 2015-09-17 US disclosed
US-9056994-B2 High structure carbon blacks CABOT CORPORATION (US) 2015-06-16 US disclosed
US-20140162064-A1 HIGH STRUCTURE CARBON BLACKS CABOT CORPORATION 2014-06-12 US disclosed
US-20140141612-A1 POLISHING COMPOSITION, POLISHING METHOD USING SAME, AND METHOD FOR PRODUCING SEMICONDUCTOR DEVICE FUJIMI CORPORATION 2014-05-22 US disclosed
EP-2693460-A1 POLISHING COMPOSITION, POLISHING METHOD USING SAME, AND METHOD FOR PRODUCING SEMICONDUCTOR DEVICE Fujimi Incorporated (JP) 2014-02-05 EP disclosed
WO-2014012002-A2 HIGH STRUCTURE CARBON BLACKS CABOT CORPORATION (US) 2014-01-16 WO disclosed
US-20140013996-A1 HIGH STRUCTURE CARBON BLACKS CABOT CORPORATION 2014-01-16 US disclosed
US-8580024-B2 Inkjet ink compositions comprising modified pigments CABOT CORPORATION (US) 2013-11-12 US disclosed
US-8133311-B2 Liquid vehicle, pigment, and non-polymeric dispersant containing diphosphate groups; ink jet inks CABOT CORPORATION (US) 2012-03-13 US disclosed
US-8133311-B2 Liquid vehicle, pigment, and non-polymeric dispersant containing diphosphate groups; ink jet inks CABOT CORPORATION (US) 2012-03-13 US disclosed
US-20100307377-A1 Inkjet ink compositions comprising modified pigments CABOT CORPORATION 2010-12-09 US disclosed
US-20080264298-A1 Pigment dipsersions comprising functionalized non-polymeric dispersants CABOT CORPORATION 2008-10-30 US disclosed
US-20080264298-A1 Pigment dipsersions comprising functionalized non-polymeric dispersants CABOT CORPORATION 2008-10-30 US disclosed
EP-0831845-B1 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS ELIZANOR BIOPHARMACEUTICALS IN (US) 2004-09-08 EP disclosed
US-5854227-A Therapeutic derivatives of diphosphonates ELIZANOR BIOPHARMACUETICALS, INC. 1998-12-29 US disclosed
WO-1996040156-A1 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS ELIZANOR BIOPHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed