SCHEMBL425325

SCHEMBL425325

O=C=NCCCCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.67
NAAA Q02083 4/20 0.65
TRPA1 O75762 1/20 0.47
CYP2E1 P05181 1/20 0.47
CYP2A6 P11509 1/20 0.47
HIF1A Q16665 1/20 0.47
CYP2A13 Q16696 1/20 0.47
EPAS1 Q99814 1/20 0.47
MAOA P21397 1/20 0.47
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HTR3A P46098 1/20 0.46
MAOB P27338 2/20 0.45
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
HDAC3 O15379 1/20 0.44
MAPK1 P28482 1/20 0.44
ADRA1A P35348 1/20 0.44
HDAC4 P56524 1/20 0.44

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
SCHEMBL11240241 0.98 NAAA (0.68) MIFNAAATRPA1CYP2E1CYP2A6
SCHEMBL1006435 0.98 NAAA (0.68) MIFNAAATRPA1CYP2E1CYP2A6
SCHEMBL380832 0.98 NAAA (0.68) MIFNAAATRPA1CYP2E1CYP2A6
SCHEMBL4332687 0.98 NAAA (0.68) MIFNAAATRPA1CYP2E1CYP2A6
SCHEMBL1149239 0.94 MIF (0.66) MIFNAAATRPA1CYP2E1CYP2A6
SCHEMBL10687867 0.90 NAAA (0.58) MIFNAAAHIF1ASIGMAR1SLC6A3
SCHEMBL331162 0.90 MIF (0.52) MIFNAAAHIF1AMAOBKEAP1
SCHEMBL1580115 0.88 NAAA (0.57) MIFNAAAMAPTRXFP1L3MBTL1
SCHEMBL1580425 0.88 NAAA (0.56) MIFNAAAHDAC1HDAC2
SCHEMBL11419140 0.87 MIF (0.58) MIFNAAATRPA1CYP2E1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119592031-A Biodegradable geotextile and preparation method thereof 中化学东华天业新材料有限公司 2025-03-11 CN claimed
CN-104640900-A Preparation method of thiourethane optical material KOC SOLUTION CO LTD 2015-05-20 CN claimed
CN-102361900-B Polyurethanes, articles and coatings prepared therefrom and methods of making the same PPG IND OHIO INC 2014-07-30 CN claimed
CN-102361900-A Polyurethanes, articles and coatings prepared therefrom and methods of making the same PPG IND OHIO INC 2012-02-22 CN claimed
EP-4713378-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2026-03-25 EP disclosed
CN-119592031-A Biodegradable geotextile and preparation method thereof 中化学东华天业新材料有限公司 2025-03-11 CN disclosed
CN-112353791-B Slip-derived therapeutic compounds and methods of use thereof 夸利蒂赫布丘蒂克斯公司 2025-02-25 CN disclosed
EP-3774961-B1 ADDUCTS OF AMINE CATALYSTS FOR PRODUCING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2025-01-15 EP disclosed
WO-2024236000-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2024-11-21 WO disclosed
EP-4464727-A1 ESTERIFIED ETHANOLAMINES FOR THE PREPARATION OF ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2024-11-20 EP disclosed
US-20240150515-A1 Low Viscosity Catalyst Compositions for Producing Isocyanurate Polymers COVESTRO DEUTSCHLAND AG (DE) 2024-05-09 US disclosed
EP-4298140-A1 LOW VISCOSITY CATALYST COMPOSITIONS FOR PRODUCING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2024-01-03 EP disclosed
CN-1111619-A Polythiol, process for producing the same, sulfur-containing polyurethane-based resin obtained therefrom, process for producing the same, and lens MITSUI TOATSU CHEMICALS (JP) 1995-11-15 CN disclosed
CN-1020129-C Plastic lens having high-refractive index and its method for preparation of the lens MITSUL TOATSU CHEMICALS INC (JP) 1993-03-17 CN disclosed
EP-0147211-B1 4H-3,1-BENZOXAZIN-4-ONES AND RELATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION SYNTEX (U.S.A.) INC. (US) 1990-09-12 EP disclosed
CN-1043498-A Mercapto compound, high refractive index resin and lens, and process for producing them MITSUI TOATSU CHEMICALS (JP) 1990-07-04 CN disclosed
CN-1036269-A Plastic lens and manufacture method thereof with high index MITSUI TOATSU CHEMICALS (JP) 1989-10-11 CN disclosed
CN-1035833-A S-alkyl thiocarbamate base resin, plastic lens containing the resin and method for producing the lens MITSUI TOATSU CHEMICALS (JP) 1989-09-27 CN disclosed
US-4657893-A ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) INC. (US) 1987-04-14 US disclosed
EP-0147211-A2 4H-3,1-benzoxazin-4-ones and related compounds, pharmaceutical compositions containing them, and processes for their preparation SYNTEX (U.S.A.) INC. (US) 1985-07-03 EP disclosed