SCHEMBL1842151

SCHEMBL1842151

C=CC[N+](C)(C)C.O=[N+]([O-])[O-]

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
BLM P54132 1/20 0.38
BBOX1 O75936 2/20 0.36
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL1263150 0.84 BBOX1 (0.45) TSHRBLMBBOX1MEN1KMT2A
SCHEMBL23277149 0.84 BBOX1 (0.36) TSHRBBOX1MEN1KMT2A
SCHEMBL16781185 0.83
SCHEMBL72541 0.83
Hydrochloric Acid SCHEMBL900501 0.80
SCHEMBL16781184 0.80
Iodide SCHEMBL2160374 0.80
Fluoride SCHEMBL4899968 0.80
SCHEMBL9283637 0.80
Fluoride Ion SCHEMBL2535684 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080038376-A1 ANTI-CANCER COMPOSITION AND METHOD FOR USING THE SAME PHARMAIONX, INC. (US) 2008-02-14 US claimed
US-20080020025-A1 COMPOSITION FOR WOUND CARE AND METHOD OF USING SAME PHARMAIONX, INC. (US) 2008-01-24 US claimed
WO-2007143586-A2 COMPOSITION FOR WOUND CARE AND METHOD OF USING SAME PHARMAIONX, INC. (US) 2007-12-13 WO claimed
CN-102202669-A Aldehyde dehydrogenase modulators and methods of use thereof UNIV LELAND STANFORD JUNIOR 2011-09-28 CN disclosed
US-20110220154-A1 Dental Appliance Cleanser GLAXOSMITHKLINE LLC 2011-09-15 US disclosed
EP-2361080-A1 DENTAL APPLIANCE CLEANSER GlaxoSmithKline LLC (US) 2011-08-31 EP disclosed
EP-1830800-B1 ORAL CARE COMPOSITION CONTAINING EXTRACT OF UNOXIDIZED CAMELLIA COLGATE PALMOLIVE CO (US) 2011-05-04 EP disclosed
WO-2010057140-A1 DENTAL APPLIANCE CLEANSER GLAXOSMITHKLINE LLC (US) 2010-05-20 WO disclosed
EP-2026657-A1 ANTI-CANCER COMPOSITION AND METHOD FOR USING THE SAME Pharmaionix Inc. (US) 2009-02-25 EP disclosed
US-20080038376-A1 ANTI-CANCER COMPOSITION AND METHOD FOR USING THE SAME PHARMAIONX, INC. (US) 2008-02-14 US disclosed
US-20080020025-A1 COMPOSITION FOR WOUND CARE AND METHOD OF USING SAME PHARMAIONX, INC. (US) 2008-01-24 US disclosed
EP-0528457-B1 Oral compositions containing an aminosilicone and a lipophilic compound UNILEVER NV (NL) 1995-10-18 EP disclosed
US-5427770-A Forming a hydrophilic film on teeth CHESEBROUGH-PONDS USA CO., DIVISION OF CONOPCO, INC. (US) 1995-06-27 US disclosed
EP-0528457-A1 Oral compositions containing an aminosilicone and a lipophilic compound UNILEVER N.V. (NL) 1993-02-24 EP disclosed
US-5188822-A Oil in water emulsion; antiplaque agent CHESEBROUGH-POND'S USA CO., DIVISION OF CONOPCO INC. (US) 1993-02-23 US disclosed
EP-0376363-B1 DENTIFRICES CONTAINING AMINO ALKYL SILICONES AND SARCOSINATE SURFACTANTS UNILEVER N.V. (NL) 1993-01-20 EP disclosed
EP-0373688-B1 DENTIFRICES CONTAINING AMINO ALKYL SILICONES UNILEVER N.V. (NL) 1993-01-20 EP disclosed
US-5154915-A Lasting hydorphobic film formed on teeth for prevention of cavities and stain; toothpastes, mouthwashes CHESEBROUGH-POND'S USA CO., DIVISION OF CONOPCO, INC. (US) 1992-10-13 US disclosed
EP-0376363-A1 Dentifrices containing amino alkyl silicones and sarcosinate surfactants UNILEVER N.V. (NL) 1990-07-04 EP disclosed
EP-0373688-A2 Dentifrices containing amino alkyl silicones UNILEVER N.V. (NL) 1990-06-20 EP disclosed