SCHEMBL3834993

SCHEMBL3834993

O=C(O)c1ccccc1C1=CC2=CC3=NC(=CC4=NC(=CC5=NC(=C(c6ccccc6C(=O)O)C1=N2)C(c1ccccc1C(=O)O)=C5c1ccccc1C(=O)O)C=C4)C=C3.[Zn]

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
SCHEMBL11325697 0.86 TYMS (0.30) —
SCHEMBL1998705 0.81 ALDH1A1 (0.35) —
SCHEMBL22389524 0.81 — —
SCHEMBL22389560 0.81 — —
SCHEMBL28827037 0.80 ALDH1A1 (0.35) —
SCHEMBL38287 0.79 — —
SCHEMBL22389544 0.79 — —
SCHEMBL29069277 0.77 — —
SCHEMBL29069303 0.76 — —
SCHEMBL9433978 0.76 HDAC3 (0.30) —

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-9082700-B2 Ultraviolet treatment of metal oxide electrodes SHARP LABORATORIES OF AMERICA, INC. (US) 2015-07-14 — — US disclosed
US-8525020-B2 Photovoltaic cell with non-miscible electrolytes COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2013-09-03 — — US disclosed
US-20130122723-A1 Ultraviolet Treatment of Metal Oxide Electrodes SHARP KABUSHIKI KAISHA (JP) 2013-05-16 — — US disclosed
EP-2028668-B1 Photovoltaic cell with immiscible electrolytes COMMISSARIAT ENERGIE ATOMIQUE (FR) 2013-01-02 — — EP disclosed
US-20090050197-A1 PHOTOVOLTAIC CELL WITH NON-MISCIBLE ELECTROLYTES COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2009-02-26 — — US disclosed
EP-2028668-A1 Photovoltaic cell with immiscible electrolytes COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2009-02-25 — — EP disclosed
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