SCHEMBL7033913

SCHEMBL7033913

CC(C)N(C(C)C)C([O])(Cl)CC#N

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL2953440 0.79 CYP1A2 (0.30)
SCHEMBL634588 0.70 CYP1A2 (0.30)
SCHEMBL27169563 0.67
SCHEMBL992720 0.65
SCHEMBL3453693 0.65
SCHEMBL2112762 0.65
SCHEMBL8740574 0.64
SCHEMBL1060577 0.63
SCHEMBL28877074 0.59
SCHEMBL181823 0.59

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0777485-B1 2',5' PHOSPHOROTHIOATE/PHOSPHODIESTER OLIGOADENYLATES AND ANTIVIRAL USES THEREOF UNIV TEMPLE (US) 2003-02-19 EP disclosed
US-5863905-A GREATLY ENHANCED METABOLIC STABILITY; NONHYDROLYZING; RESISTANCE TO SERUM PHOSPHODIESTERASES; NONTOXIC; INHIBIT OR ACTIVATE RIBONUCLEASE; AIDS, HTLV; HEPATITIS VIRUS; MS; PLANT VIRUSES, E.G. TOBACCO MOSAIC VIRUS; TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 1999-01-26 US disclosed
EP-0777485-A4 2',5' PHOSPHOROTHIOATE/PHOSPHODIESTER OLIGOADENYLATES AND ANTIVIRAL USES THEREOF UNIV TEMPLE (US) 1998-12-02 EP disclosed
EP-0777485-A1 2',5' PHOSPHOROTHIOATE/PHOSPHODIESTER OLIGOADENYLATES AND ANTIVIRAL USES THEREOF Temple University of the Commonwealth System of Higher Education (US) 1997-06-11 EP disclosed
WO-1996008256-A1 2',5' PHOSPHOROTHIOATE/PHOSPHODIESTER OLIGOADENYLATES AND ANTIVIRAL USES THEREOF TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 1996-03-21 WO disclosed