SCHEMBL3246557

SCHEMBL3246557

Fc1c(F)c(F)c(C2=C3C=CC(=N3)c3ccc([nH]3)C(c3c(F)c(F)c(F)c(F)c3F)=C3C=CC(C(c4c(F)c(F)c(F)c(F)c4F)=C4C=CC2=N4)N3c2ccccn2)c(F)c1F

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
SCHEMBL3244725 0.80 — —
SCHEMBL1640279 0.75 CBFB (0.34) —
SCHEMBL3241102 0.74 CBFB (0.34) —
SCHEMBL1640968 0.72 — —
SCHEMBL1641273 0.65 CCNB2 (0.39) —
SCHEMBL6761273 0.65 KDM4E (0.41) —
SCHEMBL1639456 0.63 — —
SCHEMBL1641262 0.63 HSD17B10 (0.31) —
SCHEMBL3243506 0.63 — —
SCHEMBL241718 0.61 — —

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
EP-1469001-B1 Corroles, including chiral derivatives and the use thereof TECHNION RES & DEV FOUNDATION (IL) 2010-05-05 — — EP disclosed
EP-1117666-B1 PROCESS FOR THE PREPARATION OF CORROLES AND SEVERAL SUCH NEW COMPOUNDS, INCLUDING CHIRAL DERIVATIVES, AND THE USE THEREOF TECHNION RES & DEV FOUNDATION (IL) 2004-12-01 — — EP disclosed
EP-1469001-A1 Corroles, including chiral derivatives and the use thereof Technion Research &amp; Development Foundation Limited (IL) 2004-10-20 — — EP disclosed
US-6541628-B1 Solvent-free condensation of an aldehyde with a pyrrole derivative to form corroles, salts or complexes TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2003-04-01 — — US disclosed
EP-1117666-A2 PROCESS FOR THE PREPARATION OF CORROLES AND SEVERAL SUCH NEW COMPOUNDS, INCLUDING CHIRAL DERIVATIVES, AND THE USE THEREOF Technion Research &amp; Development Foundation Limited (IL) 2001-07-25 — — EP disclosed
WO-2000018771-A2 PROCESS FOR THE PREPARATION OF CORROLES AND SEVERAL SUCH NEW COMPOUNDS, INCLUDING CHIRAL DERIVATIVES, AND THE USE THEREOF TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2000-04-06 — — WO disclosed
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