SCHEMBL15046203

SCHEMBL15046203

CC1(C)c2ccccc2N(c2ccccc2)c2ccc(CCc3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4cc6c(cc4-5)C(C)(C)c4ccccc4N6c4ccccc4)cc3)cc21

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
SCHEMBL15046361 0.85 PDK2 (0.33) —
SCHEMBL13827536 0.82 PDK2 (0.38) —
SCHEMBL15046373 0.82 PDK2 (0.45) —
SCHEMBL15046325 0.81 PGR (0.35) —
SCHEMBL15046242 0.81 PGR (0.35) —
SCHEMBL13827549 0.80 PDK2 (0.39) —
SCHEMBL16682300 0.80 PGR (0.37) —
SCHEMBL16900616 0.80 PGR (0.40) —
SCHEMBL16900626 0.80 PGR (0.42) —
SCHEMBL19381067 0.80 PDK2 (0.37) —

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
WO-2013089460-A1 NOVEL CHEMICAL COMPOUND HAVING AN ACRIDINE STRUCTURE, AND ORGANIC LIGHT-EMITTING DIODE USING SAME 주식회사 두산 (KR) 2013-06-20 — — WO disclosed
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