SCHEMBL6458077

SCHEMBL6458077

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
ALDH1A1 P00352 4/20 0.39
TP53 P04637 2/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
CA2 P00918 2/20 0.33
TYR P14679 1/20 0.33
KDM4E B2RXH2 2/20 0.32
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 0.32
ALOX15 P16050 2/20 0.32
MAPT P10636 1/20 0.32
ATP2A2 P16615 1/20 0.32
ATP2A3 Q93084 1/20 0.32
MAPK1 P28482 1/20 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
SCHEMBL10423305 0.87 GABRA1 (0.39) POLBALDH1A1TP53CYP3A4TSHR
SCHEMBL541137 0.82 POLB (0.48) POLBALDH1A1TP53CYP3A4TSHR
SCHEMBL21203054 0.77 CYP2C9 (0.48) POLBALDH1A1TP53CYP1A2CYP2C9
SCHEMBL10411551 0.76 CA2 (0.52) POLBALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7941748 0.75 POLB (0.56) POLBALDH1A1TP53CYP3A4TSHR
SCHEMBL7795745 0.74 POLB (0.50) POLBALDH1A1TP53CYP3A4TSHR
SCHEMBL16022232 0.71 ALDH1A1 (0.52) POLBALDH1A1TP53CYP3A4TSHR
SCHEMBL9799571 0.70 POLB (0.39) POLBALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL10342450 0.70 POLB (0.70) POLBALDH1A1TP53CYP3A4TSHR
SCHEMBL5158750 0.70 POLB (0.50) POLBALDH1A1TP53CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0669960-B1 POLYUREA POLYMERS HAVING IMPROVED HIGH TEMPERATURE STABILITY AND METHOD OF MAKING SAME DOW CHEMICAL CO (US) 1998-09-02 EP claimed
US-5525681-A MIXING POLYISOCYANATE, POLYEPOXIDE, POLYAMINE, HEATING, POSTCURING AT HIGHER TEMPERATURE THE DOW CHEMICAL COMPANY (US) 1996-06-11 US claimed
EP-0669960-A1 POLYUREA POLYMERS HAVING IMPROVED HIGH TEMPERATURE STABILITY AND METHOD OF MAKING SAME THE DOW CHEMICAL COMPANY (US) 1995-09-06 EP claimed
WO-1994012573-A1 POLYUREA POLYMERS HAVING IMPROVED HIGH TEMPERATURE STABILITY AND METHOD OF MAKING SAME THE DOW CHEMICAL COMPANY (US) 1994-06-09 WO claimed
US-5057625-A Heating mixture of toluenediamine and aluminum halide compounds reacting with isobutylene ETHYL CORPORATION (US) 1991-10-15 US claimed
US-20050096403-A1 Method of making polyurea containing automobile body parts JAMES ALLAN (CA) 2005-05-05 US disclosed
EP-1242525-B1 BLISTER-RESISTANT MOLDED POLYUREA POLYMER AND METHOD OF MAKING A BLISTER-RESISTANT MOLDED POLYUREA POLYMER DOW GLOBAL TECHNOLOGIES INC (US) 2004-09-29 EP disclosed
US-6723821-B2 REACT WITH A TERMINAL AMINO GROUP OF POLYAMINE WITH AN EPOXY COMPOUND, DECYCLIZING; FORMING AN INTERMEDIATE FOR POLYUREA COATINGS HEHR, INTERNATIONAL INC. 2004-04-20 US disclosed
US-6613864-B1 Using butylene oxide adduct DOW GLOBAL TECHNOLOGIES INC. 2003-09-02 US disclosed
EP-1161472-B1 HIGH TEMPERATURE RESISTANT POLYURETHANE POLYMERS DOW GLOBAL TECHNOLOGIES INC (US) 2003-01-08 EP disclosed
US-20020183450-A1 Polyamine epoxide adduct HEHR INTERNATIONAL INC. 2002-12-05 US disclosed
EP-1242525-A1 BLISTER-RESISTANT MOLDED POLYUREA POLYMER AND METHOD OF MAKING A BLISTER-RESISTANT MOLDED POLYUREA POLYMER DOW GLOBAL TECHNOLOGIES INC. (US) 2002-09-25 EP disclosed
EP-0177916-B1 MONO-TERTIARY-ALKYLATED TOLUENEDIAMINE AND DERIVATIVES AIR PRODUCTS AND CHEMICALS, INC. (US) 1990-04-11 EP disclosed
EP-0178583-B1 POLYURETHANE SYSTEMS USING MONOTERTIARY-ALKYLTOLUENEDIAMINE AS A CROSS LINKER AIR PRODUCTS AND CHEMICALS, INC. (US) 1989-05-31 EP disclosed
US-4816543-A REACTIN INJECTION MOLDING MATERIALS AIR PRODUCTS AND CHEMICALS, INC. (US) 1989-03-28 US disclosed
US-4745223-A CHAIN EXTENDERS FOR POLYUREAS AND POLYURETHANES AIR PRODUCTS AND CHEMICALS, INC. (US) 1988-05-17 US disclosed
US-4740620-A HIGH SELECTIVITY TO THE ORTHO POSITION AIR PRODUCTS AND CHEMICALS, INC. (US) 1988-04-26 US 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
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