SCHEMBL1172136

SCHEMBL1172136

O=C=NCc1ccccc1.O=C=NCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.60
ALDH1A1 P00352 4/20 0.60
TRPA1 O75762 3/20 0.60
CYP3A4 P08684 1/20 0.60
HPGD P15428 1/20 0.60
CYP2E1 P05181 1/20 0.40
CYP2A6 P11509 1/20 0.40
HIF1A Q16665 1/20 0.40
CYP2A13 Q16696 1/20 0.40
EPAS1 Q99814 1/20 0.40
CALM1 P0DP23 1/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2B Q13224 2/20 0.39
NOS2 P35228 1/20 0.39
TSHR P16473 3/20 0.37
EPHX2 P34913 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
AKR1B1 P15121 1/20 0.37
IDO1 P14902 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
SCHEMBL1330511 1.00 MIF (0.60) MIFALDH1A1TRPA1CYP3A4HPGD
SCHEMBL5966 1.00 MIF (0.60) MIFALDH1A1TRPA1CYP3A4HPGD
Ammonia Solution, Strong SCHEMBL8901629 0.98 MIF (0.58) MIFALDH1A1TRPA1CYP3A4HPGD
Hydrogen Sulfide SCHEMBL2772168 0.98 MIF (0.58) MIFALDH1A1TRPA1CYP3A4HPGD
SCHEMBL28217842 0.93 MIF (0.54) MIFALDH1A1TRPA1CYP3A4HPGD
Cyanide SCHEMBL28125462 0.93 ALDH1A1 (0.54) MIFALDH1A1TRPA1CYP3A4HPGD
SCHEMBL28983345 0.93 MIF (0.54) MIFALDH1A1TRPA1CYP3A4HPGD
Butane SCHEMBL27917654 0.91 ALDH1A1 (0.52) MIFALDH1A1TRPA1CYP3A4HPGD
SCHEMBL1162533 0.91 TRPA1 (0.52) MIFALDH1A1TRPA1CYP3A4HPGD
Benzylamine SCHEMBL25166822 0.89 LOXL2 (0.56) MIFALDH1A1TRPA1CYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210324213-A1 POLYURETHANE BLOCK COPOLYMER INK COMPOSITIONS AND METHODS FOR USE AND MAKING THEREOF BASF SE (DE) 2021-10-21 US claimed
EP-3844228-A1 POLYURETHANE BLOCK COPOLYMER INK COMPOSITIONS AND METHODS FOR USE AND MAKING THEREOF BASF SE (DE) 2021-07-07 EP claimed
CN-112585225-A Polyurethane block copolymer ink compositions and methods of use and preparation thereof 巴斯夫欧洲公司 2021-03-30 CN claimed
WO-2020043426-A1 POLYURETHANE BLOCK COPOLYMER INK COMPOSITIONS AND METHODS FOR USE AND MAKING THEREOF BASF SE (DE) 2020-03-05 WO claimed
EP-4397484-A1 PACKAGING MATERIAL, RECYCLED MOLDING MATERIAL, AND METHODS FOR MANUFACTURING SAME artience Co., Ltd. (JP) 2024-07-10 EP disclosed
WO-2024135511-A1 LIQUID PRINTING INK COMPOSITION, AND PRINTED PRODUCT AND MULTILAYER BODY USING SAME DICグラフィックス株式会社 2024-06-27 WO disclosed
WO-2024128007-A1 LIQUID PRINTING INK COMPOSITION, AND PRINTED MATTER AND LAMINATE USING SAME DICグラフィックス株式会社 2024-06-20 WO disclosed
US-20240166911-A1 ELECTRON BEAM-CURABLE COMPOSITION, AND FOOD PACKAGING MATERIAL TOYO INK SC HOLDINGS CO., LTD. (JP) 2024-05-23 US disclosed
US-20240150098-A1 LAMINATE AND PACKAGE TOYO INK SC HOLDINGS CO., LTD. (JP) 2024-05-09 US disclosed
EP-3892694-B1 ORGANIC SOLVENT-BASED PRINTING INK HAVING SEPARABILITY, PRINTED MATERIAL, LAMINATE BODY, AND RECYCLED BASE MATERIAL MANUFACTURING METHOD ARTIENCE CO LTD (JP) 2024-04-03 EP disclosed
WO-2024058031-A1 ACTINIC-RAY-CURABLE RESIN COMPOSITION, CURED OBJECT, AND MULTILAYERED OBJECT 荒川化学工業株式会社 2024-03-21 WO disclosed
WO-2024042723-A1 METHOD FOR MANUFACTURING RECYCLED PLASTIC artience株式会社 2024-02-29 WO disclosed
US-4016120-A BLOCKED ISOCYANATE GROUPS; REACTING A URETHANE PREPOLYMER WITH A POLYALKYLENE POLYAMINE KAO SOAP CO., LTD. (JA) 1977-04-05 US disclosed
US-4016121-A BLOCKED ISOCYANATE GROUPS; REACTING A URETHANE PREPOLYMER WITH A POLYALKYLENE POLYAMINE KAO SOAP CO., LTD. (JA) 1977-04-05 US disclosed
US-4012349-A Process for preparing non-ionic polyurethane emulsions KAO SOAP CO., LTD. (JA) 1977-03-15 US disclosed
US-4008196-A Process for preparation of amphoteric resinous aqueous emulsions KAO SOAP CO., LTD. (JA) 1977-02-15 US disclosed
US-3997491-A POLYURETHANE KAO SOAP CO., LTD. (JA) 1976-12-14 US disclosed
US-3997490-A Aqueous dispersions of amphoteric polyurethane-urea and method of making KAO SOAP CO., LTD. (JA) 1976-12-14 US disclosed
US-3991026-A POLYURETHANE-UREA-POLYAMINE, EPIHALOHYDIN, ANHYDRIDE KAO SOAP CO., LTD. (JA) 1976-11-09 US disclosed
US-3951897-A Process for preparing non-ionic polyurethane emulsions KAO SOAP CO., LTD. (JA) 1976-04-20 US disclosed