SCHEMBL8184870

SCHEMBL8184870

CN1C=C(C2=C3C=CC(=N3)C(C3=CN(C)CC(c4ccco4)=C3)=c3ccc([nH]3)=C(C3=CN(C)CC(c4ccco4)=C3)C3=NC(Cl)(C=C3)C(Cl)(C3=CN(C)CC(c4ccco4)=C3)c3ccc2[nH]3)C=C(c2ccco2)C1

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
SCHEMBL8184161 0.72 — —
SCHEMBL8187363 0.71 — —
SCHEMBL5947696 0.71 — —
SCHEMBL7149929 0.70 — —
SCHEMBL7148663 0.70 — —
SCHEMBL8183373 0.70 — —
SCHEMBL7239095 0.69 — —
SCHEMBL8174275 0.67 — —
SCHEMBL8182556 0.67 — —
SCHEMBL3190937 0.67 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6087493-A ENZYME IHIBITORS REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2000-07-11 — — US disclosed
EP-0988037-A1 PORPHYRIN COMPOUNDS AS TELOMERASE INHIBITORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2000-03-29 — — EP disclosed
WO-1998033503-A1 PORPHYRIN COMPOUNDS AS TELOMERASE INHIBITORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1998-08-06 — — WO disclosed
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