SCHEMBL45297

SCHEMBL45297

Oc1c(Br)cccc1Br.Oc1ccccc1I.[Na]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 3/20 0.39
HPGD P15428 3/20 0.39
ALOX15 P16050 3/20 0.39
HSD17B10 Q99714 3/20 0.39
CA1 P00915 3/20 0.39
EGFR P00533 2/20 0.39
FYN P06241 2/20 0.39
MMP9 P14780 2/20 0.39
RECQL P46063 2/20 0.39
ADAMTS4 O75173 1/20 0.39
MMP2 P08253 1/20 0.39
MMP8 P22894 1/20 0.39
CA6 P23280 1/20 0.39
CDK2 P24941 1/20 0.39
MMP12 P39900 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
CRHBP P24387 1/20 0.38

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
SCHEMBL12985945 0.98 CA2 (0.40) CA2TDP1ALDH1A1LMNAHPGD
SCHEMBL4576127 0.80
SCHEMBL14840044 0.79 CRHBP (0.46) CA2TDP1ALDH1A1LMNAHPGD
SCHEMBL5720 0.79
Hydrogen Sulfide SCHEMBL28872365 0.77
SCHEMBL416446 0.76
2,6-Dichlorophenol SCHEMBL45346 0.75 ALDH1A1 (0.50) CA2TDP1ALDH1A1LMNAHPGD
SCHEMBL69568 0.74
Hydrochloric Acid SCHEMBL28808022 0.74 ALDH1A1 (0.50) CA2TDP1ALDH1A1LMNAHPGD
2,6-Dichlorophenol SCHEMBL142668 0.72 ALDH1A1 (0.52) CA2TDP1ALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2450026-B1 DENTAL COMPOSITION HAVING A REDOX INDICATOR AND METHOD OF USING SAME KERR CORP (US) 2023-03-15 EP claimed
EP-2450027-B1 DENTAL COMPOSITIONS HAVING SPECIAL FUNCTIONALITY AND TRI-BARREL PACKAGING KERR CORP (US) 2023-01-11 EP claimed
US-20190115613-A1 AQUEOUS BATTERIES WITH A MEDIATOR-ION SOLID STATE ELECTROLYTE UNITED STATES DEPARTMENT OF ENERGY 2019-04-18 US claimed
US-20170315436-A1 PHOTOCATALYTIC COLOR SWITCHING OF REDOX IMAGING NANOMATERIALS OF REWRITABLE MEDIA THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-11-02 US claimed
EP-3210079-A1 PHOTOCATALYTIC COLOR SWITCHING OF REDOX IMAGING NANOMATERIALS OF REWRITABLE MEDIA Yin, Yadong (US) 2017-08-30 EP claimed
US-9522099-B2 Dental compositions having special functionality and a tri-barrel packaging and delivery system therefor KERR CORPORATION (US) 2016-12-20 US claimed
US-9399004-B2 Dental composition having a redox indicator and method of using same KERR CORPORATION (US) 2016-07-26 US claimed
US-9387152-B2 Blood substitutes and uses thereof THE GENERAL HOSPITAL CORPORATION (US) 2016-07-12 US claimed
WO-2016025714-A1 CHLOROPICRIN SENSOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-02-18 WO claimed
WO-2013164835-A1 NOVEL METHOD FOR THE DETECTION OF MICROBIAL CONTAMINANTS IN PLANT TISSUE CELL CULTURES DAVE GAYATRI ASHWINKUMAR (IN) 2013-11-07 WO claimed
US-20120115106-A1 DENTAL COMPOSITIONS HAVING SPECIAL FUNCTIONALITY AND A TRI-BARREL PACKAGING AND DELIVERY SYSTEM THEREFOR KERR CORPORATION (US) 2012-05-10 US claimed
US-20120115978-A1 DENTAL COMPOSITION HAVING A REDOX INDICATOR AND METHOD OF USING SAME KERR CORPORATION (US) 2012-05-10 US claimed
EP-2450027-A2 Dental compositions having special functionality and a tri-barrel packaging and delivery system therefor Kerr Corporation (US) 2012-05-09 EP claimed
EP-2450026-A2 Dental composition having a redox indicator and method of using same Kerr Corporation (US) 2012-05-09 EP claimed
US-11993802-B2 Method for stabilizing proteins LONZA LTD (CH) 2024-05-28 US disclosed
WO-2023034602-A9 NUCLEIC ACID SEQUENCES RESPONSIVE TO CREATININE IN CLINICALLY USEFUL RANGES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2024-04-18 WO disclosed
US-20240123450-A1 LID ASSEMBLY FOR A SAMPLE TUBE, METHOD OF USING THE SAME TO COLLECT MAGNETIC BEADS, AND SAMPLE PROCESSING KIT IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2024-04-18 US disclosed
EP-2450027-A2 Dental compositions having special functionality and a tri-barrel packaging and delivery system therefor Kerr Corporation (US) 2012-05-09 EP disclosed
WO-2012006101-A2 BLOOD SUBSTITUTES AND USES THEREOF THE GENERAL HOSPITAL CORPORATION (US) 2012-01-12 WO disclosed
WO-2011066449-A1 DEVICES FOR DETECTION OF ANALYTES SEVIDENT (US) 2011-06-03 WO disclosed