SCHEMBL701684

SCHEMBL701684

CC(C)N(OP(N)OOCCC#N)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
SCHEMBL442366 0.83
SCHEMBL2952874 0.78 ALDH1A1 (0.33)
SCHEMBL13493927 0.72 TSHR (0.33)
SCHEMBL7081474 0.72 TSHR (0.30)
SCHEMBL9549066 0.72 TSHR (0.30)
SCHEMBL2522703 0.72 TSHR (0.30)
SCHEMBL1096715 0.72 TSHR (0.30)
SCHEMBL701682 0.70
SCHEMBL7153188 0.69
SCHEMBL3503381 0.69

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
US-8124745-B2 Polycyclic sugar surrogate-containing oligomeric compounds and compositions for use in gene modulation ISIS PHARMACEUTICALS, INC (US) 2012-02-28 US claimed
US-20100216982-A1 POLYCYCLIC SUGAR SURROGATE-CONTAINING OLIGOMERIC COMPOUNDS AND COMPOSITIONS FOR USE IN GENE MODULATION Isis Pharmaceutiacls, Inc. (US) 2010-08-26 US claimed
US-5969128-A NUCLEIC ACID PROBES WITH TERMINAL PRIMARY AMINE GROUPS IN A CONFIGURATION FOR ATTACHMENT OF MARKER WHICH IS DETECTABLE BY PRODUCTION OF COLOR OR LIGHT; DIAGNOSIS OF GENETIC DISORDERS, ONCOGENES, VIRAL/BACTERIA/PARASITIC DISEASES LA REGION WALLONE (BE) 1999-10-19 US disclosed
EP-0684954-B1 NUCLEIC ACID PROBES CHEMICALLY 5'(OH)- AND/OR 3'(OH)-MODIFIED FOR INSERTING ONE OR MORE NON-RADIOACTIVE LABELING ELEMENTS THEREAT, AND METHOD FOR PREPARING SAME WALLONE REGION (BE) 1998-07-22 EP disclosed
EP-0684954-A1 NUCLEIC ACID PROBES CHEMICALLY 5'(OH)- AND/OR 3'(OH)-MODIFIED FOR INSERTING ONE OR MORE NON-RADIOACTIVE LABELING ELEMENTS THEREAT, AND METHOD FOR PREPARING SAME LA REGION WALLONNE (BE) 1995-12-06 EP disclosed
WO-1994019364-A2 NUCLEIC ACID PROBES CHEMICALLY 5'(OH)- AND/OR 3'(OH)-MODIFIED FOR INSERTING ONE OR MORE NON-RADIOACTIVE LABELING ELEMENTS THEREAT, AND METHOD FOR PREPARING SAME LA REGION WALLONNE (BE) 1994-09-01 WO disclosed