SCHEMBL59753

SCHEMBL59753

N#CCN(CC#N)CC#N

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
MAPK1 P28482 1/20 0.53
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL11494179 1.00 CYP1A2 (0.53) CYP1A2MAPK1ALDH1A1TDP1
Water SCHEMBL10884100 1.00 CYP1A2 (0.53) CYP1A2MAPK1ALDH1A1TDP1
SCHEMBL11549049 0.96 CYP1A2 (0.50) CYP1A2MAPK1ALDH1A1TDP1
SCHEMBL11125071 0.84 CYP1A2 (0.48) CYP1A2MAPK1ALDH1A1TDP1
SCHEMBL1997212 0.84 CYP1A2 (0.48) CYP1A2MAPK1ALDH1A1TDP1
SCHEMBL20364817 0.83 CYP1A2 (0.42) CYP1A2MAPK1
SCHEMBL11414953 0.81 CYP1A2 (0.46) CYP1A2MAPK1
SCHEMBL15549454 0.78
SCHEMBL65244 0.78
SCHEMBL9194314 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9994764-B2 Methods and systems for infusing porous ceramic proppant with a chemical treatment agent CARBO CERAMICS INC. (US) 2018-06-12 US claimed
US-8362298-B2 Hydrolyzed nitrilotriacetonitrile compositions, nitrilotriacetonitrile hydrolysis formulations and methods for making and using same CLEARWATER INTERNATIONAL, LLC (US) 2013-01-29 US claimed
US-8258339-B2 Hydrolyzed nitrilotriacetonitrile compositions, nitrilotriacetonitrile hydrolysis formulations and methods for making and using same CLEARWATER INTERNATIONAL, LLC (US) 2012-09-04 US claimed
US-20110224107-A1 HYDROLYZED NITRILOTRIACETONITRILE COMPOSITIONS, NITRILOTRIACETONITRILE HYDROLYSIS FORMULATIONS AND METHODS FOR MAKING AND USING SAME CLEARWATER INTERNATIONAL, LLC (US) 2011-09-15 US claimed
US-20110218125-A1 HYDROLYZED NITRILOTRIACETONITRILE COMPOSITIONS, NITRILOTRIACETONITRILE HYDROLYSIS FORMULATIONS AND METHODS FOR MAKING AND USING SAME CLEARWATER INTERNATIONAL, LLC (US) 2011-09-08 US claimed
US-7956217-B2 Hydrolyzed nitrilotriacetonitrile compositions, nitrilotriacetonitrile hydrolysis formulations and methods for making and using same CLEARWATER INTERNATIONAL, LLC (US) 2011-06-07 US claimed
US-20100012901-A1 HYDROLYZED NITRILOTRIACETONITRILE COMPOSITIONS, NITRILOTRIACETONITRILE HYDROLYSIS FORMULATIONS AND METHODS FOR MAKING AND USING SAME CLEARWATER INTERNATIONAL, LLC (US) 2010-01-21 US claimed
EP-1012135-B1 IMINODIACETONITRILE MIRROR BACK COATING CORROSION INHIBITOR LILLY IND USA INC (US) 2005-04-20 EP claimed
US-6861548-B2 Continuous process for the cyanoalkylation of compounds having one or more NH functions BASF AKTIENGESELLSCHAFT (DE) 2005-03-01 US claimed
JP-3615546-B2 2005-02-02 JP claimed
EP-0102935-A1 Process for producing nitrilotriacetonitrile MONSANTO COMPANY (US) 1984-03-14 EP claimed
EP-0102936-A1 Continuous process for producing nitrilotriacetonitrile MONSANTO COMPANY (US) 1984-03-14 EP claimed
EP-0102343-A1 Process for producing nitrilotriacetonitrile MONSANTO COMPANY (US) 1984-03-07 EP claimed
WO-1983004020-A1 METHOD FOR THE PREPARATION OF AMINO-CETONITRILES CEMONA AG (CH) 1983-11-24 WO claimed
US-4181672-A Process for preparing metal chelates W. R. GRACE & CO. (US) 1980-01-01 US claimed
US-3987077-A COMPOSITION USEFUL FOR REDUCING THE CAKING TENDENCY OF PARTICULATE SODIUM CHLORIDE W. R. GRACE & CO. (US) 1976-10-19 US claimed
US-3984453-A FROM FORMALDEHYDE, AMMONIA AND HYDROGEN CYANIDE STAUFFER CHEMICAL COMPANY (US) 1976-10-05 US claimed
US-3972876-A Process for the preparation of symmetrical and unsymmetrical azines and mixtures thereof PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1976-08-03 US claimed
US-3959342-A MULTISTAGE FROM FORMALDEHYDE AND AMMONIA OR AN AMMONIUM SALT BETHLEHEM STEEL CORPORATION (US) 1976-05-25 US claimed
US-3950384-A FROM AMMONIUM SALT, FORMALDEHYDE, HYDROGEN CYANIDE HOECHST AKTIENGESELLSCHAFT (DT) 1976-04-13 US claimed