SCHEMBL117623

SCHEMBL117623

Cc1c(N)ccc(C(C)C)c1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.40
TSHR P16473 3/20 0.40
LMNA P02545 2/20 0.40
SLC6A2 P23975 2/20 0.40
HTR2B P41595 2/20 0.40
PIK3CA P42336 1/20 0.40
TRPA1 O75762 1/20 0.40
CHRM1 P11229 1/20 0.40
ADRA1A P35348 1/20 0.40
TDP1 Q9NUW8 3/20 0.37
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 2/20 0.34
GAA P10253 2/20 0.34
GFER P55789 1/20 0.34
ALDH1A1 P00352 4/20 0.33
HIF1A Q16665 2/20 0.31
GABRA1 P14867 2/20 0.31

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
SCHEMBL19998489 0.85 LMNA (0.38) CYP3A4TSHRLMNASLC6A2HTR2B
SCHEMBL2907892 0.83 CYP3A4 (0.42) CYP3A4TSHRLMNASLC6A2HTR2B
SCHEMBL9854815 0.79 CYP3A4 (0.39) CYP3A4TSHRPIK3CATDP1TP53
SCHEMBL9879909 0.79 GABRA1 (0.39) CYP3A4TSHRLMNASLC6A2HTR2B
SCHEMBL669068 0.77 ALDH1A1 (0.40) CYP3A4TSHRLMNASLC6A2HTR2B
SCHEMBL62372 0.77 CYP3A4 (0.37) CYP3A4TSHRLMNASLC6A2HTR2B
SCHEMBL3427600 0.77 CYP3A4 (0.33) CYP3A4TSHRPIK3CATDP1TP53
SCHEMBL6751624 0.76 LMNA (0.31) CYP3A4TSHRLMNASLC6A2HTR2B
SCHEMBL5673130 0.76 TRPA1 (0.32) TSHRLMNASLC6A2HTR2BTRPA1
SCHEMBL10492587 0.76 TYR (0.43) CYP3A4TSHRLMNAPIK3CAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4611045-A POLYURETHANES MODIFIED WITH CHAIN EXTENDERS ETHYL CORPORATION (US) 1986-09-09 US claimed
US-4440952-A POLYURETHANE CHAIN EXTENDER ETHYL CORPORATION (US) 1984-04-03 US claimed
EP-3938416-B1 POLYURETHANE COATING COMPOSITIONS AND THEIR USE AS GEL COATS COVESTRO LLC (US) 2025-09-10 EP disclosed
US-20240376246-A1 ONE-POT PROCESS FOR THE PRODUCTION OF POLYCARBODIIMIDE CURED POLYMERS BASF SE (DE) 2024-11-14 US disclosed
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-4402191-A1 ONE-POT PROCESS FOR THE PRODUCTION OF POLYCARBODIIMIDE CURED POLYMERS BASF SE (DE) 2024-07-24 EP 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-117980366-A One pot process for producing polycarbodiimide cured polymers 巴斯夫欧洲公司 2024-05-03 CN 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-3129353-B1 METHOD FOR MANUFACTURING XYLYLENE DIISOCYANATES IN THE GASEOUS PHASE COVESTRO DEUTSCHLAND AG (DE) 2024-02-28 EP disclosed
WO-2023041443-A1 ONE-POT PROCESS FOR THE PRODUCTION OF POLYCARBODIIMIDE CURED POLYMERS BASF SE (DE) 2023-03-23 WO disclosed
EP-0226781-A1 Alkylation of aromatic amines in the presence of acidic, crystalline molecular sieves AIR PRODUCTS AND CHEMICALS, INC. (US) 1987-07-01 EP disclosed
CN-85108274-A The composition that contains mono-tertiary-alkylated toluenediamine and derivative thereof 1987-02-18 CN disclosed
US-4631298-A REACTION INJECTION MOLDING POLYURETHANES ETHYL CORPORATION (US) 1986-12-23 US disclosed
US-4611045-A POLYURETHANES MODIFIED WITH CHAIN EXTENDERS ETHYL CORPORATION (US) 1986-09-09 US disclosed
EP-0177916-A1 Mono-tertiary-alkylated toluenediamine and derivatives AIR PRODUCTS AND CHEMICALS, INC. (US) 1986-04-16 EP disclosed
US-4581386-A Internal mold release agent for use in reaction injection molding MOBAY CHEMICAL CORPORATION (US) 1986-04-08 US disclosed
US-4519965-A ZINC CARBOXYLATE AND NITROGEN CONTAINING ACYCLIC COMPOUND MOBAY CHEMICAL CORPORATION (US) 1985-05-28 US disclosed
US-4440952-A POLYURETHANE CHAIN EXTENDER ETHYL CORPORATION (US) 1984-04-03 US disclosed
US-4440952-A POLYURETHANE CHAIN EXTENDER ETHYL CORPORATION (US) 1984-04-03 US disclosed