SCHEMBL598441

SCHEMBL598441

CCCCOc1nc(OCCCC)nc(OCCCC)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.43
CYP3A4 P08684 2/20 0.43
LTA4H P09960 4/20 0.41
CYP1A2 P05177 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
NR5A1 Q13285 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 2/20 0.39
MCHR1 Q99705 1/20 0.39
TLR8 Q9NR97 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 3/20 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
SCHEMBL899058 0.92 NR5A1 (0.43) LTA4HNR5A1MCHR1TLR8CDK1
SCHEMBL14971486 0.91 PDE4B (0.40) CYP2D6CYP3A4LTA4HCYP1A2CYP2C9
SCHEMBL25384494 0.90 NR5A1 (0.47) LTA4HNR5A1MCHR1TLR8CDK1
SCHEMBL11587263 0.90 NR5A1 (0.47) LTA4HNR5A1MCHR1TLR8CDK1
SCHEMBL11009919 0.90 NR5A1 (0.47) LTA4HNR5A1MCHR1TLR8CDK1
SCHEMBL19412780 0.89 MCHR1 (0.38) CYP2D6CYP3A4LTA4HCYP1A2CYP2C9
SCHEMBL6051629 0.89 RAB9A (0.41) CYP2D6CYP3A4LTA4HCYP1A2CYP2C9
SCHEMBL11270818 0.89 LTA4H (0.42) CYP2D6CYP3A4LTA4HCYP1A2CYP2C9
SCHEMBL21876011 0.85 TDP1 (0.44) CYP2D6CYP3A4RAB9ASMN1; SMN2MCHR1
SCHEMBL8662885 0.84 MCHR1 (0.38) CYP2D6CYP3A4LTA4HCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7867294-B2 Triazine compounds for removing acids and water from nonaqueous electrolytes for electrochemical cells NOVOLYTE TECHNOLOGIES INC. (US) 2011-01-11 US claimed
US-20100192363-A1 Triazine Compounds For Removing Acids And Water From Nonaqueous Electrolytes For Electrochemical Cells FERRO CORPORATION (US) 2010-08-05 US claimed
US-7727669-B2 Triazine compounds for removing acids and water from nonaqueous electrolytes for electrochemical cells NOVOLYTE TECHNOLOGIES INC. (US) 2010-06-01 US claimed
US-20060269844-A1 Triazine compounds for removing acids and water from nonaqueous electrolytes for electrochemical cells FERRO CORPORATION (US) 2006-11-30 US claimed
EP-2687559-B1 PRE-EXPANDED POLYPROPYLENE RESIN PARTICLES, IN-MOLD FOAM MOLDED BODY OF POLYPROPYLENE RESIN, AND METHOD FOR MANUFACTURING SAME KANEKA CORP (JP) 2020-02-12 EP disclosed
US-10072128-B2 Polyolefin-based resin pre-expanded particles and polyolefin-based resin in-mold expansion molded article comprising polyolefin-based resin pre- expanded particles KANEKA CORPORATION (JP) 2018-09-11 US disclosed
US-9505857-B2 Pre-expanded polypropylene resin particles, in-mold foam molded product of polypropylene resin, and method for manufacturing same KANEKA CORPORATION (JP) 2016-11-29 US disclosed
US-20160237279-A1 MULTIMERIC PROTECTED FLUORESCENT REAGENTS PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2016-08-18 US disclosed
US-20160237279-A1 MULTIMERIC PROTECTED FLUORESCENT REAGENTS PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2016-08-18 US disclosed
EP-2743295-B1 POLYOLEFIN RESIN FOAM PARTICLES AND IN-MOLD FOAMING MOLDED BODY OF SAME KANEKA CORP (JP) 2016-04-27 EP disclosed
US-9249281-B2 Polyolefin resin foam particles and in-mold foaming molded body of same KANEKA CORPORATION (JP) 2016-02-02 US disclosed
US-9126954-B2 Hydroxy group protecting agent and hydroxy group protection method NATIONAL UNIVERSITY CORPORATION KANAZAWA UNIVERSITY (JP) 2015-09-08 US disclosed
EP-2420533-A1 POLYOLEFIN RESIN PRE-EXPANDED PARTICLES AND POLYOLEFIN RESIN IN-MOLD EXPANSION-MOLDED ARTICLE COMPRISING POLYOLEFIN RESIN PRE-EXPANDED PARTICLES Kaneka Corporation (JP) 2012-02-22 EP disclosed
US-20120037837-A1 POLYOLEFIN-BASED RESIN PRE-EXPANDED PARTICLES AND POLYOLEFIN-BASED RESIN IN-MOLD EXPANSION MOLDED ARTICLE COMPRISING POLYOLEFIN-BASED RESIN PRE-EXPANDED PARTICLES KANEKA CORPORATION (JP) 2012-02-16 US disclosed
US-7867294-B2 Triazine compounds for removing acids and water from nonaqueous electrolytes for electrochemical cells NOVOLYTE TECHNOLOGIES INC. (US) 2011-01-11 US disclosed
US-20100192363-A1 Triazine Compounds For Removing Acids And Water From Nonaqueous Electrolytes For Electrochemical Cells FERRO CORPORATION (US) 2010-08-05 US disclosed
US-7727669-B2 Triazine compounds for removing acids and water from nonaqueous electrolytes for electrochemical cells NOVOLYTE TECHNOLOGIES INC. (US) 2010-06-01 US disclosed
EP-2103647-A1 PRE-EXPANDED NONCROSSLINKED POLYPROPYLENE RESIN BEADS AND IN-MOLD EXPANSION MOLDINGS Kaneka Corporation (JP) 2009-09-23 EP disclosed
US-20060269844-A1 Triazine compounds for removing acids and water from nonaqueous electrolytes for electrochemical cells FERRO CORPORATION (US) 2006-11-30 US disclosed
US-4074052-A ISOMERIZATION OF CYANURIC ACID TRIESTERS KAO SOAP CO., LTD. (JA) 1978-02-14 US disclosed