SCHEMBL13010078

SCHEMBL13010078

C#CCO[C@H]1CC(OP(OCCC#N)N(C(C)C)C(C)C)[C@@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)O1

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
SCHEMBL13329991 0.87 TYMP (0.32) —
SCHEMBL12765859 0.87 TYMP (0.32) —
SCHEMBL13374809 0.87 TYMP (0.32) —
SCHEMBL24829632 0.87 TYMP (0.32) —
SCHEMBL25747161 0.87 TYMP (0.32) —
SCHEMBL14064222 0.86 TYMP (0.31) —
SCHEMBL14005196 0.85 TYMP (0.31) —
SCHEMBL30205820 0.82 — —
SCHEMBL6854140 0.82 SLC6A1 (0.33) —
SCHEMBL26270123 0.82 SLC6A1 (0.33) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317714-A1 COMPLEX MOLECULE INTERFERING THE EXPRESSION OF TARGET GENES AND ITS PREPARING METHODS SUZHOU RIBO LIFE SCIENCE CO., LTD (CN) 2010-12-16 — — US disclosed
US-20100317714-A1 COMPLEX MOLECULE INTERFERING THE EXPRESSION OF TARGET GENES AND ITS PREPARING METHODS SUZHOU RIBO LIFE SCIENCE CO., LTD (CN) 2010-12-16 — — US disclosed
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