SCHEMBL11889588

SCHEMBL11889588

O=[N+]([O-])P(=O)(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
ADAM17 P78536 1/20 0.44
ALDH1A1 P00352 5/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA5A P35218 1/20 0.44
LMNA P02545 1/20 0.44
CFTR P13569 1/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
ALOX12 P18054 2/20 0.39
HPGD P15428 1/20 0.39
GAA P10253 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 1/20 0.38
ALPG P10696 1/20 0.38
NPY1R P25929 1/20 0.38
HTT P42858 1/20 0.38
NPY2R P49146 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FBP1 P09467 1/20 0.37

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
SCHEMBL3804426 0.80 NPC1 (0.44) NPC1ADAM17ALDH1A1CA2CA4
SCHEMBL10954746 0.76 CA2 (0.52) NPC1ADAM17ALDH1A1CA2CA4
SCHEMBL14246552 0.76 NPC1 (0.42) NPC1ADAM17ALDH1A1CA2CA4
Phenylphosphonic Acid SCHEMBL9584251 0.70 CA2 (0.50) NPC1ADAM17ALDH1A1CA2CA4
SCHEMBL9698893 0.70 TDP1 (0.48) NPC1ADAM17ALDH1A1CA2CA4
SCHEMBL6755550 0.68 FBP1 (0.45) NPC1ADAM17ALDH1A1CA2CA4
SCHEMBL1382564 0.67 CA2 (0.52) ALDH1A1CA2CA4CA5ACFTR
SCHEMBL28970835 0.67 CA2 (0.52) ALDH1A1CA2CA4CA5ALMNA
SCHEMBL10954752 0.67 CA2 (0.46) NPC1ADAM17ALDH1A1CA2CA4
Triphenylphosphine Oxide SCHEMBL513223 0.66 CA2 (0.58) ALDH1A1CA2CA4CA5ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2481760-B1 INITIATOR SYSTEM FOR CATIONIC POLYMERIZATION AND POLYMERIZATION METHOD USING SAME CHINA PETROLEUM & CHEM CORP (CN) 2021-05-05 EP claimed
EP-2481759-B1 ISO-OLEFIN POLYMER AND PREPARATION METHOD THEREOF CHINA PETROLEUM & CHEM CORP (CN) 2021-05-05 EP disclosed
EP-2481760-B1 INITIATOR SYSTEM FOR CATIONIC POLYMERIZATION AND POLYMERIZATION METHOD USING SAME CHINA PETROLEUM & CHEM CORP (CN) 2021-05-05 EP disclosed
CN-102597014-B Initiator system for cationic polymerization and polymerization method using same CHINA PETROLEUM & CHEMICAL 2015-05-13 CN disclosed
US-8937138-B2 Initiating system for cationic polymerization and polymerization process CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2015-01-20 US disclosed
US-8883943-B2 Isoolefin polymers and process for preparing the same CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2014-11-11 US disclosed
CN-102597011-B Iso-olefin polymer and preparation method thereof CHINA PETROLEUM & CHEMICAL 2014-03-05 CN disclosed
CN-102399311-B Cationic polymerization initiation system and cationic polymerization method CHINA PETROLEUM & CHEMICAL 2013-12-04 CN disclosed
US-20120329973-A1 INITIATING SYSTEM FOR CATIONIC POLYMERIZATION AND POLYMERIZATION PROCESS BEIJING UNIVERSITY OF CHEMICAL TECHNOLOGY (CN) 2012-12-27 US disclosed
US-20120238715-A1 ISOOLEFIN POLYMERS AND PROCESS FOR PREPARING THE SAME CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2012-09-20 US disclosed
EP-2481760-A1 INITIATOR SYSTEM FOR CATIONIC POLYMERIZATION AND POLYMERIZATION METHOD USING SAME China Petroleum & Chemical Corporation (CN) 2012-08-01 EP disclosed
EP-2481759-A1 ISO-OLEFIN POLYMER AND PREPARATION METHOD THEREOF China Petroleum & Chemical Corporation (CN) 2012-08-01 EP disclosed
CN-102597011-A Iso-olefin polymer and preparation method thereof CHINA PETROLEUM & CHEMICAL 2012-07-18 CN disclosed
CN-102597014-A Initiator system for cationic polymerization and polymerization method using same CHINA PETROLEUM & CHEMICAL 2012-07-18 CN disclosed
CN-102399311-A Cationic polymerization initiating system and polymerization method CHINA PETROLEUM & CHEMICAL 2012-04-04 CN disclosed