4,4'-Methylenedianiline

4,4'-Methylenedianiline

SCHEMBL2851475

Nc1ccc(Cc2ccc(N)cc2)cc1.Nc1ccc(Cc2ccc(N)cc2)cc1.Nc1ccc(Cc2ccc(N)cc2)cc1.[Cl-].[Na+]

nearest known ligand 0.88

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of 4,4'-Methylenedianiline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.88
ALDH1A1 P00352 2/20 0.88
TDP1 Q9NUW8 2/20 0.88
TSHR P16473 1/20 0.88
CYP19A1 P11511 2/20 0.62
CYP17A1 P05093 1/20 0.62
CYP11B1 P15538 1/20 0.62
CYP11B2 P19099 1/20 0.62
GFER P55789 1/20 0.58
LOXL2 Q9Y4K0 1/20 0.55
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
MAOB P27338 4/20 0.48

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
4,4'-Methylenedianiline SCHEMBL6907269 1.00 CYP3A4 (0.88) CYP3A4ALDH1A1TDP1TSHRCYP19A1
SCHEMBL1304762 0.94 CYP3A4 (1.00) CYP3A4ALDH1A1TDP1TSHRCYP19A1
4,4'-Methylenedianiline SCHEMBL15105282 0.94 CYP3A4 (1.00) CYP3A4ALDH1A1TDP1TSHRCYP19A1
4,4'-Methylenedianiline SCHEMBL28001 0.94 CYP3A4 (1.00) CYP3A4ALDH1A1TDP1TSHRCYP19A1
SCHEMBL3482770 0.94 CYP3A4 (1.00) CYP3A4ALDH1A1TDP1TSHRCYP19A1
SCHEMBL8094139 0.94 CYP3A4 (1.00) CYP3A4ALDH1A1TDP1TSHRCYP19A1
SCHEMBL6362775 0.94 CYP3A4 (1.00) CYP3A4ALDH1A1TDP1TSHRCYP19A1
4,4'-Methylenedianiline SCHEMBL9770941 0.90 CYP3A4 (0.93) CYP3A4ALDH1A1TDP1TSHRCYP19A1
4,4'-Methylenedianiline SCHEMBL2529236 0.90 CYP3A4 (0.93) CYP3A4ALDH1A1TDP1TSHRCYP19A1
4,4'-Methylenedianiline SCHEMBL10896251 0.90 CYP3A4 (0.93) CYP3A4ALDH1A1TDP1TSHRCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-121575594-A Urethane adhesive cord treatment and tape for electric power transmission tape 盖茨公司 2026-02-27 CN disclosed
EP-3526392-B1 URETHANE ADHESIVE CORD TREATMENT FOR POWER TRANSMISSION BELT AND BELT GATES CORP (US) 2024-09-11 EP disclosed
US-11548990-B2 Urethane adhesive cord treatment for power transmission belt and belt GATES CORPORATION (US) 2023-01-10 US disclosed
US-10577450-B2 Storage stable activated prepolymer composition LANXESS SOLUTIONS US INC. (US) 2020-03-03 US disclosed
EP-3526392-A1 URETHANE ADHESIVE CORD TREATMENT FOR POWER TRANSMISSION BELT AND BELT Gates Corporation (US) 2019-08-21 EP disclosed
WO-2018071382-A1 URETHANE ADHESIVE CORD TREATMENT FOR POWER TRANSMISSION BELT AND BELT GATES CORPORATION (US) 2018-04-19 WO disclosed
US-20170088660-A1 STORAGE STABLE ACTIVATED PREPOLYMER COMPOSITION LANXESS SOLUTIONS US INC. 2017-03-30 US disclosed
WO-2017053224-A1 STORAGE STABLE ACTIVATED PREPOLYMER COMPOSITION CHEMTURA CORPORATION (US) 2017-03-30 WO disclosed
US-20170029578-A1 URETHANE ADHESIVE CORD TREATMENT FOR POWER TRANSMISSION BELT AND BELT GATES CORPORATION 2017-02-02 US disclosed
US-9487046-B2 Laminated non-pneumatic tire CATERPILLAR INC. (US) 2016-11-08 US disclosed
US-9180737-B2 Molded tire having different tread material CATERPILLAR INC. (US) 2015-11-10 US disclosed
US-20150090931-A1 Curing Compositions Having Low-Free Amounts of Methylenedianiline LANXESS SOLUTIONS US INC. 2015-04-02 US disclosed
US-20150034222-A1 TIRE AND SYSTEM FOR ACQUIRING DATA ASSOCIATED WITH TIRE CATERPILLAR INC. (US) 2015-02-05 US disclosed
US-20150034225-A1 REINFORCED NON-PNEUMATIC TIRE AND SYSTEM FOR MOLDING REINFORCED NON-PNEUMATIC TIRE CATERPILLAR INC. (US) 2015-02-05 US disclosed
WO-2015013036-A1 NON-PNEUMATIC TIRE AND SYSTEM FOR MOLDING NON-PNEUMATIC TIRE CATERPILLAR INC. (US) 2015-01-29 WO disclosed
US-20150027606-A1 NON-PNEUMATIC TIRE AND SYSTEM FOR MOLDING NON-PNEUMATIC TIRE CATERPILLAR INC. (US) 2015-01-29 US disclosed
US-20140311643-A1 MOLDED TIRE HAVING DIFFERENT TREAD MATERIAL CATERPILLAR INC. (US) 2014-10-23 US disclosed
WO-2014172095-A1 NON-PNEUMATIC TYRE COMPRISING POLYURETHANE OF DIFFERENT CHARACTERISTICS AND PROCESS FOR ITS MANUFACTURING CATERPILLAR INC. (US) 2014-10-23 WO disclosed
US-8586682-B2 Curing compositions having low-free amounts of methylenedianiline CHEMTURA CORPORATION (US) 2013-11-19 US disclosed
US-20100256311-A1 CURING COMPOSITIONS HAVING LOW-FREE AMOUNTS OF METHYLENEDIANILINE LANXESS SOLUTIONS US INC. 2010-10-07 US disclosed