SCHEMBL9005441

SCHEMBL9005441

CCCCCc1cc([N+](=O)[O-])c([N+](=O)[O-])c(OC)c1CCCCC

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
TSHR P16473 1/20 0.42
TRPV1 Q8NER1 1/20 0.40
ALOX5 P09917 7/20 0.38
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
IMPDH2 P12268 1/20 0.36
TXNRD1 Q16881 3/20 0.36
GSR P00390 1/20 0.36
ESR1 P03372 1/20 0.35
MCL1 Q07820 1/20 0.34

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
SCHEMBL9641358 0.80 ALDH1A1 (0.56) ALDH1A1TDP1TSHRTRPV1ALOX5
SCHEMBL28899631 0.80 TRPV1 (0.48) ALDH1A1TDP1TSHRTRPV1ALOX5
SCHEMBL4993974 0.74 TDP1 (0.42) ALDH1A1TDP1TSHRMAPTL3MBTL1
SCHEMBL8810638 0.73 TRPV1 (0.47) ALDH1A1TDP1TSHRTRPV1MAPT
SCHEMBL29113886 0.73 TXNRD1 (0.43) ALDH1A1TDP1ALOX5MAPTL3MBTL1
SCHEMBL9839842 0.73 MAPT (0.44) ALDH1A1TDP1TSHRMAPTL3MBTL1
SCHEMBL3181480 0.73 PPARA (0.49) ALDH1A1TDP1ALOX5ESR1MCL1
SCHEMBL28842377 0.72 ESR1 (0.39) ALDH1A1TDP1TSHRALOX5MAPT
SCHEMBL17666416 0.71 ALDH1A1 (0.63) ALDH1A1TDP1TSHRL3MBTL1IMPDH2
SCHEMBL3181313 0.70 TPMT (0.45) TRPV1ALOX5MAPTESR1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0402688-B1 1,3-Di-arylmethoxy-4,6-dinitrobenzenes, process for their preparation and process for preparing 4,6-diaminoresorcin BAYER AG (DE) 1994-02-16 EP claimed
EP-0736000-A1 PROCESS FOR THE PREPARATION OF DIAMINORESORCINOL THE DOW CHEMICAL COMPANY (US) 1996-10-09 EP disclosed
EP-0735999-A1 A METHOD OF CLEAVING ARYLETHERS THE DOW CHEMICAL COMPANY (US) 1996-10-09 EP disclosed
US-5463129-A Using an amide hydrohalide salt THE DOW CHEMICAL COMPANY (US) 1995-10-31 US disclosed
WO-1995017375-A1 PROCESS FOR THE PREPARATION OF DIAMINORESORCINOL THE DOW CHEMICAL COMPANY (US) 1995-06-29 WO disclosed
WO-1995017372-A1 A METHOD OF CLEAVING ARYLETHERS THE DOW CHEMICAL COMPANY (US) 1995-06-29 WO disclosed
US-5414130-A Process for the preparation of diaminoresorcinol THE DOW CHEMICAL COMPANY (US) 1995-05-09 US disclosed
US-5399768-A Process for the preparation of diaminoresorcinol THE DOW CHEMICAL COMPANY (US) 1995-03-21 US disclosed
US-5072053-A Monomers for polybenzoxazoles BAYER AKTIENGESELLSCHAFT (DE) 1991-12-10 US disclosed
US-5072053-A Monomers for polybenzoxazoles BAYER AKTIENGESELLSCHAFT (DE) 1991-12-10 US disclosed