SCHEMBL456472

SCHEMBL456472

O=C(O)[C@H](O)c1c(F)c(F)cc(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 8/20 0.44
CES1 P23141 8/20 0.44
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA4 P22748 2/20 0.41
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN7 P35236 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
ESR2 Q92731 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA12 O43570 1/20 0.32
CA7 P43166 1/20 0.32
CA13 Q8N1Q1 1/20 0.32

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
SCHEMBL20993000 1.00 CES2 (0.44) CES2CES1CA1CA2CA4
SCHEMBL456471 1.00 CES2 (0.44) CES2CES1CA1CA2CA4
SCHEMBL20578743 0.87 CES2 (0.41) CES2CES1CA1CA2CA4
SCHEMBL20578742 0.87 CES2 (0.41) CES2CES1CA1CA2CA4
SCHEMBL7471170 0.80 GRM8 (0.39) CES2CES1LMNAMAPK1POLB
SCHEMBL7471164 0.80 GRM8 (0.39) CES2CES1LMNAMAPK1POLB
SCHEMBL7397558 0.80 CES2 (0.43) CES2CES1LMNAMAPK1POLB
SCHEMBL7397563 0.80 CES2 (0.43) CES2CES1LMNAMAPK1POLB
SCHEMBL20993114 0.76 AKR1C3 (0.42) CES2CES1CA1CA2CA4
SCHEMBL1669004 0.73 CES2 (0.64) CES2CES1LMNAMAPK1POLB

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3479863-B1 COMPOSITIONS, METHODS AND ARTICLES CONCERNING PHARMACEUTICAL NITRIC OXIDE AND CONTROLLED PATIENT DELIVERY SYSTEMS THEREOF MALLINCKRODT PHARMACEUTICALS IRELAND LTD (IE) 2021-11-24 EP claimed
EP-3479863-A1 COMPOSITIONS, METHODS AND ARTICLES CONCERNING PHARMACEUTICAL NITRIC OXIDE AND CONTROLLED PATIENT DELIVERY SYSTEMS THEREOF INO Therapeutics LLC (US) 2019-05-08 EP claimed
EP-2613839-B1 COMPOSITIONS, METHODS AND ARTICLES CONCERNING PHARMACEUTICAL NITRIC OXIDE AND CONTROLLED PATIENT DELIVERY SYSTEMS THEREOF INO THERAPEUTICS LLC (US) 2018-12-12 EP claimed
EP-3479863-B1 COMPOSITIONS, METHODS AND ARTICLES CONCERNING PHARMACEUTICAL NITRIC OXIDE AND CONTROLLED PATIENT DELIVERY SYSTEMS THEREOF MALLINCKRODT PHARMACEUTICALS IRELAND LTD (IE) 2021-11-24 EP disclosed
US-20200368271-A1 METHOD AND APPARATUS FOR ADMINISTERING GASES INCLUDING NITRIC OXIDE HORIZON TECHNOLOGY FINANCE CORPORATION 2020-11-26 US disclosed
EP-3509684-A1 SYSTEM AND METHOD FOR PORTABLE NITRIC OXIDE DELIVERY Vero Biotech LLC (US) 2019-07-17 EP disclosed
EP-2914546-B1 DUAL PLATFORM SYSTEM FOR THE DELIVERY OF NITRIC OXIDE Vero Biotech LLC (US) 2019-07-10 EP disclosed
EP-3479863-A1 COMPOSITIONS, METHODS AND ARTICLES CONCERNING PHARMACEUTICAL NITRIC OXIDE AND CONTROLLED PATIENT DELIVERY SYSTEMS THEREOF INO Therapeutics LLC (US) 2019-05-08 EP disclosed
EP-3479863-A1 COMPOSITIONS, METHODS AND ARTICLES CONCERNING PHARMACEUTICAL NITRIC OXIDE AND CONTROLLED PATIENT DELIVERY SYSTEMS THEREOF INO Therapeutics LLC (US) 2019-05-08 EP disclosed
EP-2613839-B1 COMPOSITIONS, METHODS AND ARTICLES CONCERNING PHARMACEUTICAL NITRIC OXIDE AND CONTROLLED PATIENT DELIVERY SYSTEMS THEREOF INO THERAPEUTICS LLC (US) 2018-12-12 EP disclosed
EP-3397331-A1 METHOD AND APPARATUS FOR ADMINISTERING NITRIC OXIDE WITH SUPPLEMENTAL DRUGS Vero Biotech LLC (US) 2018-11-07 EP disclosed
WO-2017100729-A1 METHOD AND APPARATUS FOR ADMINISTERING GASES INCLUDING NITRIC OXIDE GENO LLC (US) 2017-06-15 WO disclosed
EP-2914324-A1 METHOD OF MIXING GASES INCLUDING NITRIC OXIDE Geno LLC (US) 2015-09-09 EP disclosed
EP-2914546-A1 DUAL PLATFORM SYSTEM FOR THE DELIVERY OF NITRIC OXIDE Geno LLC (US) 2015-09-09 EP disclosed
US-20140127081-A1 DUAL PLATFORM SYSTEM FOR THE DELIVERY OF NITRIC OXIDE VERO BIOTECH INC. 2014-05-08 US disclosed
WO-2014071350-A1 DUAL PLATFORM SYSTEM FOR THE DELIVERY OF NITRIC OXIDE GENO LLC (US) 2014-05-08 WO disclosed
US-20140127330-A1 METHOD OF MIXING GASES INCLUDING NITRIC OXIDE VERO BIOTECH INC. (F/K/A VERO BIOTECH LLC) 2014-05-08 US disclosed
WO-2014071349-A1 METHOD OF MIXING GASES INCLUDING NITRIC OXIDE GENO LLC (US) 2014-05-08 WO disclosed
EP-2613839-A1 COMPOSITIONS, METHODS AND ARTICLES CONCERNING PHARMACEUTICAL NITRIC OXIDE AND CONTROLLED PATIENT DELIVERY SYSTEMS THEREOF Ikaria, Inc. (US) 2013-07-17 EP disclosed
WO-2012034089-A1 COMPOSITIONS, METHODS AND ARTICLES CONCERNING PHARMACEUTICAL NITRIC OXIDE AND CONTROLLED PATIENT DELIVERY SYSTEMS THEREOF IKARIA, INC. (US) 2012-03-15 WO disclosed