SCHEMBL14010716

SCHEMBL14010716

O=C1OCC[C@]2(O)C1=CO[C@@H](OCCl)[C@@H]2I

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
SCHEMBL14010918 0.77 — —
SCHEMBL14010917 0.65 STAT3 (0.40) —
SCHEMBL13998202 0.63 — —
SCHEMBL13906103 0.62 LMNA (0.31) —
SCHEMBL13998189 0.62 LMNA (0.31) —
SCHEMBL2534106 0.47 — —
SCHEMBL18949957 0.47 — —
SCHEMBL28650797 0.47 LMNA (0.33) —
SCHEMBL4574758 0.46 — —
SCHEMBL5078178 0.45 LMNA (0.44) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080319042-A1 Compositions and methods for treatment of liver disease CALECO PHARMA CORP. 2008-12-25 — — US disclosed
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