SCHEMBL7795745

SCHEMBL7795745

Cc1cc(C(C)(C)C)c(N)c(C)c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.50
ALDH1A1 P00352 4/20 0.40
CYP3A4 P08684 4/20 0.40
TSHR P16473 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
TP53 P04637 2/20 0.40
CYP1A2 P05177 3/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2C9 P11712 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
CA2 P00918 2/20 0.34
TYR P14679 1/20 0.34
ALOX15 P16050 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
ATP2A2 P16615 1/20 0.33
ATP2A3 Q93084 1/20 0.33
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32

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
SCHEMBL9835185 0.87 POLB (0.44) POLBALDH1A1CYP3A4TSHRTDP1
SCHEMBL10620353 0.87 POLB (0.39) POLBALDH1A1CYP3A4TSHRTDP1
SCHEMBL9721931 0.80 POLB (0.40) POLBALDH1A1CYP3A4TSHRTDP1
SCHEMBL541137 0.79 POLB (0.48) POLBALDH1A1CYP3A4TSHRTDP1
SCHEMBL31589510 0.78 POLB (0.41) POLBALDH1A1CYP3A4TSHRTDP1
SCHEMBL16022232 0.78 ALDH1A1 (0.52) POLBALDH1A1CYP3A4TSHRTDP1
SCHEMBL5158750 0.76 POLB (0.50) POLBALDH1A1CYP3A4TSHRTDP1
SCHEMBL10342450 0.76 POLB (0.70) POLBALDH1A1CYP3A4TSHRTDP1
SCHEMBL262306 0.76 ALDH1A1 (0.56) POLBALDH1A1CYP3A4TSHRTDP1
SCHEMBL6458077 0.74 POLB (0.48) POLBALDH1A1CYP3A4TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0539406-B1 THIXOTROPIC POLYURETHANE SYSTEMS HENKEL KGAA (DE) 1994-11-02 EP claimed
US-5338767-A POLYOL COMPONENT CONTAINS MIXTURE OF POLYAMIDOAMINE AND, LOW MOLECULAR WEIGHT, POLYFUNCTIONAL AMINES; TWO-STEP SYSTEM HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1994-08-16 US claimed
EP-0539406-A1 THIXOTROPIC POLYURETHANE SYSTEMS. HENKEL KGAA (DE) 1993-05-05 EP claimed
WO-1992001725-A1 THIXOTROPIC POLYURETHANE SYSTEMS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1992-02-06 WO claimed
US-4636531-A REACTION INJECTION MOLDING, CHAIN EXTENSION, STERIC HINDRANCE, PRIMARY AROMATIC DIAMINE BASF AKTIENGESELLSCHAFT (DE) 1987-01-13 US claimed
EP-1157056-A1 THIXOTROPIC WOOD BINDER COMPOSITIONS Bayer Corporation (US) 2001-11-28 EP disclosed
US-6287495-B1 Thixotropic wood binder compositions BAYER CORPORATION 2001-09-11 US disclosed
WO-2000039185-A1 THIXOTROPIC WOOD BINDER COMPOSITIONS BAYER CORPORATION (US) 2000-07-06 WO disclosed
EP-0929587-A1 USE OF A TWO-COMPONENT POLYURETHANE SYSTEM FOR SMOOTHING Henkel Kommanditgesellschaft auf Aktien (DE) 1999-07-21 EP disclosed
WO-1998015586-A1 USE OF A TWO-COMPONENT POLYURETHANE SYSTEM FOR SMOOTHING HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1998-04-16 WO disclosed
US-5541338-A REACTION PRODUCT OF A FATTY ACID, POLYALKYLENEPOLYAMINE AND AN EPOXY COMPOUND; INTERNAL LUBRICANTS HAVING CATALYTIC ACTIVITY; REACTION INJECTION MOLDING; AUTOMOBILES AIR PRODUCTS AND CHEMICALS, INC. (US) 1996-07-30 US disclosed
EP-0490278-B1 Polyurethane rim elastomers obtained with hydroxyl-containing organotin catalysts AIR PROD & CHEM (US) 1996-02-14 EP disclosed
EP-0180749-A1 Process for the preparation of moulded articles BAYER AG (DE) 1986-05-14 EP disclosed
EP-0178583-A1 Polyurethane systems using monotertiary-alkyltoluenediamine as a cross linker AIR PRODUCTS AND CHEMICALS, INC. (US) 1986-04-23 EP disclosed
EP-0177916-A1 Mono-tertiary-alkylated toluenediamine and derivatives AIR PRODUCTS AND CHEMICALS, INC. (US) 1986-04-16 EP disclosed
US-4581387-A REACTION PRODUCT OF MONTANIC ACID AND TEN OR MORE CARBON ATOMS CARBOXYLIC ACID AND POLYOL, ALKANOLAMINE, OR POLYAMINE BASF AKTIENGESELLSCHAFT (DE) 1986-04-08 US disclosed
EP-0173907-A1 Method of enveloping the edges of glass panes with elastic polyisocyanate-polyaddition products BASF Aktiengesellschaft (DE) 1986-03-12 EP disclosed
EP-0173888-A1 A process for the production of polyurethane elastomers and an isocyanate-reactive composition to be used in this process MOBAY CORPORATION (US) 1986-03-12 EP disclosed
EP-0157120-A1 Process for the preparation of optionally cellular polyurethane-polyurea moulded objects having demoulding properties BASF Aktiengesellschaft (DE) 1985-10-09 EP disclosed
EP-0125591-A1 Trialkyl-substituted aromatic diisocyanates BASF Aktiengesellschaft (DE) 1984-11-21 EP disclosed