SCHEMBL22555574

SCHEMBL22555574

BrC1=CC2=CC3=NC(=CC4=NC(=CC5=NC(=C(Br)C1=N2)C(Br)=C5Br)C=C4)C=C3

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
SCHEMBL6227475 0.66 — —
SCHEMBL587850 0.63 — —
SCHEMBL466965 0.63 — —
Hydrochloric Acid SCHEMBL5165812 0.63 — —
SCHEMBL17459903 0.63 — —
SCHEMBL180000 0.63 — —
SCHEMBL1484247 0.62 — —
SCHEMBL1760871 0.61 — —
SCHEMBL4584235 0.61 — —
SCHEMBL4393759 0.60 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11117123-B2 Compositions and methods for catalysts based on bridged chiral amidoporphyrins and their metal complexes THE TRUSTEES OF BOSTON COLLEGE (US) 2021-09-14 — — US disclosed
US-20200330968-A1 COMPOSITIONS AND METHODS FOR CATALYSTS BASED ON BRIDGED CHIRAL AMIDOPORPHYRINS AND THEIR METAL COMPLEXES TRUSTEES OF BOSTON COLLEGE (US) 2020-10-22 — — US disclosed
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