SCHEMBL13086130

SCHEMBL13086130

CC(=O)SCCCCCCCCCCCCCCCCOP(OCCC#N)N(C(C)C)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
SCHEMBL18652663 0.81
SCHEMBL1501122 0.81 ALDH1A1 (0.39)
SCHEMBL5597403 0.81 ALDH1A1 (0.39)
SCHEMBL16328978 0.81
SCHEMBL16938606 0.80
SCHEMBL14005132 0.80 TSHR (0.33)
SCHEMBL13675273 0.79
SCHEMBL15576709 0.79 CTSS (0.35)
SCHEMBL9152252 0.79 TSHR (0.35)
SCHEMBL27093631 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2220102-B1 BASELESS NUCLEOTIDE ANALOGUES AND USES THEREOF CLINICAL MICRO SENSORS INC (US) 2014-04-16 EP disclosed
US-7820391-B2 having relatively high coupling efficiency that are particularly useful in nucleic acid synthesis; has a redox active moiety comprising a ferrocene derivative; non-nucleotide ferrocene labels; kits OSMETECH MOLECULAR DIAGNOSTICS (US) 2010-10-26 US disclosed
US-7820391-B2 having relatively high coupling efficiency that are particularly useful in nucleic acid synthesis; has a redox active moiety comprising a ferrocene derivative; non-nucleotide ferrocene labels; kits OSMETECH MOLECULAR DIAGNOSTICS (US) 2010-10-26 US disclosed
US-20090155795-A1 BASELESS NUCLEOTIDE ANALOGUES AND USES THEREOF OSMETECH MOLECULAR DIAGNOSTICS (US) 2009-06-18 US disclosed
US-20090155795-A1 BASELESS NUCLEOTIDE ANALOGUES AND USES THEREOF OSMETECH MOLECULAR DIAGNOSTICS (US) 2009-06-18 US disclosed
WO-2009061941-A2 BASELESS NUCLEOTIDE ANALOGUES AND USES THEREOF OSMETECH MOLECULAR DIAGNOSTICS (US) 2009-05-14 WO disclosed