SCHEMBL342291

SCHEMBL342291

Cc1cc(Cc2cc(C)c(N)c(C(C)(C)C)c2)cc(C(C)(C)C)c1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
DHFR P00374 2/20 0.37
HSPA5 P11021 2/20 0.37
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
HIF1A Q16665 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP2D6 P10635 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA2 P00918 1/20 0.35
TYR P14679 1/20 0.35
SHBG P04278 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL29653561 1.00 POLB (0.45) POLBDHFRHSPA5CYP2C9CYP2C19
SCHEMBL941426 0.87 DHFR (0.41) POLBDHFRHSPA5CYP2C9CYP2C19
SCHEMBL2155153 0.82 POLB (0.41) POLBDHFRSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL8780496 0.81 POLB (0.35) POLBALDH1A1TSHRTP53CYP3A4
SCHEMBL9689314 0.81 ALDH1A1 (0.58) POLBCYP2C9CYP2C19SMN1; SMN2CYP2D6
SCHEMBL307367 0.79 ALDH1A1 (0.55) POLBHIF1AHSD17B10ALDH1A1TSHR
SCHEMBL15745652 0.78 AR (0.34) POLBDHFRSMN1; SMN2ALDH1A1SHBG
SCHEMBL16022232 0.78 ALDH1A1 (0.52) POLBHSPA5CYP2C9CYP2C19HIF1A
Ammonia Solution, Strong SCHEMBL3031871 0.77 ALDH1A1 (0.52) POLBDHFRHIF1AHSD17B10ALDH1A1
SCHEMBL4726719 0.76 HSPA5 (0.49) POLBDHFRHSPA5HIF1ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0335336-B1 CATALYTIC HYDROGENATION OF CRUDE METHYLENE BRIDGED POLYPHENYLAMINES TO PRODUCE POLYCYCLOHEXYLAMINES AIR PRODUCTS AND CHEMICALS, INC. (US) 1993-08-04 EP claimed
US-5196587-A Pretreatment with ruthenium hydrogenation catalyst and then with a rhodium catalyst AIR PRODUCTS AND CHEMICALS, INC. (US) 1993-03-23 US claimed
US-20240343941-A1 DUAL-CURE RESIN COMPOSITION COMPRISING URETDIONE-CONTAINING COMPOUND AND ITS USE IN 3D PRINTING BASF SE (DE) 2024-10-17 US disclosed
EP-3828218-B1 EPOXY RESIN, EPOXY RESIN COMPOSITION, EPOXY RESIN COMPOSITION FOR CARBON FIBER-REINFORCED COMPOSITE MATERIAL, PREPREG, AND CARBON FIBER-REINFORCED COMPOSITE MATERIAL NIPPONKAYAKU KK (JP) 2024-06-26 EP disclosed
US-20240199831-A1 PREPREG AND FIBER-REINFORCED COMPOSITE MATERIAL TORAY INDUSTRIES, INC. (JP) 2024-06-20 US disclosed
EP-4380990-A1 DUAL-CURE RESIN COMPOSITION COMPRISING URETDIONE-CONTAINING COMPOUND AND ITS USE IN 3D PRINTING BASF SE (DE) 2024-06-12 EP disclosed
CN-117836344-A Dual cure resin composition comprising uretdione containing compounds and use thereof in 3D printing 巴斯夫欧洲公司 2024-04-05 CN disclosed
EP-3514194-B1 AROMATIC POLYETHER MICROPARTICLES, METHOD FOR PRODUCING CURED RESIN PRODUCT, AND METHOD FOR PRODUCING CARBON-FIBER-REINFORCED COMPOSITE MATERIAL SUMITOMO CHEMICAL CO (JP) 2024-03-20 EP disclosed
EP-4317236-A1 EPOXY RESIN COMPOSITION, PREPREG, AND FIBER-REINFORCED COMPOSITE MATERIAL Toray Industries, Inc. (JP) 2024-02-07 EP disclosed
EP-4310112-A1 RESIN COMPOSITION, PREPREG, AND FIBER-REINFORCED PLASTIC Mitsubishi Chemical Corporation (JP) 2024-01-24 EP disclosed
US-20230399478-A1 CARBON FIBER COMPOSITE MATERIAL SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-12-14 US disclosed
US-5196587-A Pretreatment with ruthenium hydrogenation catalyst and then with a rhodium catalyst AIR PRODUCTS AND CHEMICALS, INC. (US) 1993-03-23 US disclosed
US-5117061-A Process of preparing substituted anilines ETHYL CORPORATION (US) 1992-05-26 US disclosed
US-5041668-A Polyurethane Chain Extenders, Hardeners for Epoxy Resins ETHYL CORPORATION (US) 1991-08-20 US disclosed
US-5008453-A Sterically hindered chain extenders and curing agents for polyurethanes, polyureas, polyepoxides ETHYL CORPORATION (US) 1991-04-16 US disclosed
EP-0228190-B1 RIM POLYURETHANES COMPRISING MIXED DIAMINE CHAIN EXTENDERS AND PROCESS AND COMPOSITION FOR THEIR PRODUCTION ETHYL CORPORATION (US) 1991-02-27 EP disclosed
EP-0335336-A2 Catalytic hydrogenation of crude methylene bridged polyphenylamines to produce polycyclohexylamines AIR PRODUCTS AND CHEMICALS, INC. (US) 1989-10-04 EP disclosed
US-4845283-A COATINGS, ADHESIVES, ADDITION POLYMERS AIR PRODUCTS AND CHEMICALS, INC. (US) 1989-07-04 US disclosed
US-4794194-A Alkenylated toluenediisocyanates for use in preparing polyurethane urea systems AIR PRODUCTS AND CHEMICALS, INC. (US) 1988-12-27 US disclosed
US-4631298-A REACTION INJECTION MOLDING POLYURETHANES ETHYL CORPORATION (US) 1986-12-23 US disclosed