SCHEMBL2336841

SCHEMBL2336841

O=C(C(=O)c1ccc(I)cc1)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 11/20 0.75
CES1 P23141 10/20 0.75
TPMT P51580 1/20 0.61
RAB9A P51151 1/20 0.54
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
DAO P14920 1/20 0.48
TSHR P16473 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
ALDH1A1 P00352 1/20 0.48
ITGA1 P56199 1/20 0.47
GSK3B P49841 1/20 0.46

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
SCHEMBL3760858 0.89 TPMT (0.65) CES2CES1TPMTCA1CA2
Benzil SCHEMBL4957522 0.87 CES2 (1.00) CES2CES1RAB9ADAOTSHR
SCHEMBL1195835 0.87 CES2 (1.00) CES2CES1RAB9ADAOTSHR
SCHEMBL2479840 0.85 ALDH1A1 (0.70) CES2CES1TPMTRAB9ACA1
SCHEMBL13973687 0.85 CES2 (0.54) CES2CES1TPMTRAB9ACA1
Benzil SCHEMBL2156589 0.84 CES2 (1.00) CES2CES1RAB9ACA1CA2
Benzil SCHEMBL66 0.84 CES2 (1.00) CES2CES1RAB9ACA1CA2
Benzil SCHEMBL28475956 0.84 CES2 (1.00) CES2CES1RAB9ACA1CA2
Benzil SCHEMBL9517636 0.84 CES2 (1.00) CES2CES1RAB9ACA1CA2
Benzil SCHEMBL7142843 0.84 CES2 (1.00) CES2CES1RAB9ACA1CA2

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
US-H1668-H Polymeric perfluoroalkylether-linked quinoxalines THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1997-07-01 US claimed
US-9293713-B2 Arylamine compound RICOH COMPANY, LTD. (JP) 2016-03-22 US disclosed
CN-102906215-B Photochromic material MITSUBISHI GAS CHEMICAL CO 2014-11-05 CN disclosed
US-20130225858-A1 ARYLAMINE COMPOUND RICOH COMPANY, LTD. (JP) 2013-08-29 US disclosed
CN-102906215-A Photochromic material MITSUBISHI GAS CHEMICAL CO 2013-01-30 CN disclosed
EP-1385637-B1 IMPROVED RAMAN-ACTIVE TAGGANTS AND THEIR RECOGNITION QUANTAG SYSTEMS INC (US) 2011-08-24 EP disclosed
US-20040058058-A1 Prefatory anti-forgery protection and consecutive machine-assisted authentication of genuine documents and other values SHCHEGOLIKHIN ALEXANDER NIKITO (RU) 2004-03-25 US disclosed
US-6610351-B2 Spectroscopy QUANTAG SYSTEMS, INC. 2003-08-26 US disclosed
US-20020025490-A1 Spectroscopy CHROMATIC TECHNOLOGIES, INC. 2002-02-28 US disclosed
US-6225132-B1 DERIVATIZING AGENT COMPRISING A MULTIPHOTON-EMITTING RADIOISOTOPE AND A MOIETY THAT FORMS A NON-COVALENT CHEMICAL BOND WITH AN ANALYTE OF INTEREST, SUITABLE FOR DETECTION OF THE ANALYTE OF INTEREST BIOTRACES, INC. 2001-05-01 US disclosed
EP-0912899-A1 ENHANCED CHROMATOGRAPHY USING MULTIPHOTON DETECTION Biotraces, Inc. (US) 1999-05-06 EP disclosed
US-5854084-A Enhanced chromatography using multiphoton detection BIOTRACES, INC. (US) 1998-12-29 US disclosed
WO-1998002750-A1 ENHANCED CHROMATOGRAPHY USING MULTIPHOTON DETECTION BIOTRACES, INC. (US) 1998-01-22 WO disclosed
US-H1668-H Polymeric perfluoroalkylether-linked quinoxalines THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1997-07-01 US disclosed
US-H1668-H Polymeric perfluoroalkylether-linked quinoxalines THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1997-07-01 US disclosed