SCHEMBL3755179

SCHEMBL3755179

CC(C)[N+](CCC#N)(OP(N)[O-])C(C)C

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
SCHEMBL15145099 0.82
SCHEMBL2384197 0.82
SCHEMBL9815367 0.63 TSHR (0.30)
SCHEMBL10256463 0.59
SCHEMBL10257118 0.59 ALDH1A1 (0.44)
Hydrochloric Acid SCHEMBL11909936 0.57
SCHEMBL5901216 0.57 TSHR (0.31)
SCHEMBL19886137 0.55
SCHEMBL9547219 0.54 MCL1 (0.39)
Hydrochloric Acid SCHEMBL10382215 0.54 APEX1 (0.50)

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
US-8354102-B2 Antibodies directed to mGluR7 HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
US-20100303802-A1 ANTIBODY DIRECTED TO G PROTEIN COUPLED RECEPTORS (GPCR) F. HOFFMANN-LA ROCHE AG (CH) 2010-12-02 US disclosed
EP-1222309-A4 HUMAN RNASE H AND OLIGONUCLEOTIDE COMPOSITIONS THEREOF ISIS PHARMACEUTICALS INC (US) 2002-12-04 EP disclosed
EP-1222309-A1 HUMAN RNASE H AND OLIGONUCLEOTIDE COMPOSITIONS THEREOF ISIS PHARMACEUTICALS, INC. (US) 2002-07-17 EP disclosed
WO-2001023613-A1 HUMAN RNASE H AND OLIGONUCLEOTIDE COMPOSITIONS THEREOF ISIS PHARMACEUTICALS, INC. (US) 2001-04-05 WO disclosed