Pentachlorophenol

Pentachlorophenol

SCHEMBL1309233

NCl.Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.[Ru]

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.77
HPGD P15428 6/20 0.77
HSD17B10 Q99714 6/20 0.77
MEN1 O00255 2/20 0.77
ALDH1A1 P00352 2/20 0.77
LMNA P02545 2/20 0.77
MAPT P10636 2/20 0.77
KMT2A Q03164 2/20 0.77
CYP1A2 P05177 4/20 0.52
CYP2C9 P11712 4/20 0.52
HIF1A Q16665 3/20 0.52
CASP1 P29466 1/20 0.42
CYP3A4 P08684 3/20 0.41
CYP2C19 P33261 1/20 0.40
MAPK1 P28482 3/20 0.39
THRB P10828 2/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
ALOX15 P16050 1/20 0.36

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
Pentachlorophenol SCHEMBL11327936 0.92 HSD17B10 (0.91) TSHRHPGDHSD17B10MEN1ALDH1A1
Perchlorobenzene SCHEMBL28269084 0.88 HSD17B10 (1.00) TSHRHPGDHSD17B10MEN1ALDH1A1
Pentachlorophenol SCHEMBL5315995 0.88 HSD17B10 (1.00) TSHRHPGDHSD17B10MEN1ALDH1A1
Pentachlorophenol SCHEMBL1492 0.88 HSD17B10 (1.00) TSHRHPGDHSD17B10MEN1ALDH1A1
Pentachlorophenol SCHEMBL1330735 0.88 HSD17B10 (1.00) TSHRHPGDHSD17B10MEN1ALDH1A1
Pentachlorophenol SCHEMBL23121452 0.88 HSD17B10 (1.00) TSHRHPGDHSD17B10MEN1ALDH1A1
Pentachlorophenol SCHEMBL22027593 0.84 HSD17B10 (0.91) TSHRHPGDHSD17B10MEN1ALDH1A1
Pentachlorophenol SCHEMBL139992 0.84 HSD17B10 (0.91) TSHRHPGDHSD17B10MEN1ALDH1A1
Pentachlorophenol SCHEMBL21177789 0.84 HSD17B10 (0.91) TSHRHPGDHSD17B10MEN1ALDH1A1
Pentachlorophenol SCHEMBL21647360 0.84 HSD17B10 (0.91) TSHRHPGDHSD17B10MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9932687-B2 High throughput screening of crystallization of materials CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-04-03 US disclosed
US-20160184824-A1 HIGH THROUGHPUT SCREENING OF CRYSTALLIZATION OF MATERIALS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-30 US disclosed
US-9205423-B2 High throughput screening of crystallization of materials CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-12-08 US disclosed
US-8709153-B2 Microfludic protein crystallography techniques CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-04-29 US disclosed
US-20140041727-A1 HIGH THROUGHPUT SCREENING OF CRYSTALLIZATION OF MATERIALS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-13 US disclosed
EP-1392484-B1 HIGH THROUGHPUT SCREENING OF CRYSTALIZATION OF MATERIALS CALIFORNIA INST OF TECHN (US) 2013-06-12 EP disclosed
US-8382896-B2 High throughput screening of crystallization materials CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2013-02-26 US disclosed
US-20120241015-A1 Microfluidic Protein Crystallography Techniques NATIONAL INSTITUTES OF HEALTH 2012-09-27 US disclosed
US-20110306522-A1 MICROFLUIDIC PROTEIN CRYSTALLOGRAPHY CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2011-12-15 US disclosed
US-8052792-B2 Microfluidic protein crystallography techniques CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2011-11-08 US disclosed
EP-1549768-A1 MICROFLUIDIC PROTEIN CRYSTALLOGRAPHY CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2005-07-06 EP disclosed
US-20050062196-A1 Microfluidic protein crystallography techniques CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2005-03-24 US disclosed
US-20050019794-A1 Crystal growth devices and systems, and methods for using same FLUIDIGM CORPORATION (US) 2005-01-27 US disclosed
WO-2004104228-A1 MICROFLUIDIC PROTEIN CRYSTALLOGRAPHY CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2004-12-02 WO disclosed
WO-2004094020-A2 CRYSTAL GROWTH DEVICES AND SYSTEMS, AND METHODS FOR USING SAME FLUIDIGM CORPORATION (US) 2004-11-04 WO disclosed
EP-1392484-A4 HIGH THROUGHPUT SCREENING OF CRYSTALIZATION OF MATERIALS CALIFORNIA INST OF TECHN (US) 2004-07-28 EP disclosed
US-20040115731-A1 Microfluidic protein crystallography CALIFORNIA INSTITUTE OF TECHNOLOGY 2004-06-17 US disclosed
EP-1392484-A2 HIGH THROUGHPUT SCREENING OF CRYSTALIZATION OF MATERIALS California Institute of Technology (US) 2004-03-03 EP disclosed
US-20030061687-A1 High throughput screening of crystallization materials CALIFORNIA INSTITUTE OF TECHNOLOGY, A CALIFORNIA CORPORATION 2003-04-03 US disclosed
WO-2002082047-A2 HIGH THROUGHPUT SCREENING OF CRYSTALLIZATION OF MATERIALS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2002-10-17 WO disclosed