SCHEMBL1760871

SCHEMBL1760871

BrC1=C2C=CC(=N2)C=C2C=CC(=N2)C=C2C=CC(=N2)C=C2C=CC1=N2

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
SCHEMBL28444937 0.98 — —
Hydrochloric Acid SCHEMBL8209580 0.71 — —
SCHEMBL466965 0.71 — —
Hydrochloric Acid SCHEMBL5165812 0.71 — —
SCHEMBL180000 0.71 — —
SCHEMBL6803316 0.66 — —
SCHEMBL1484247 0.65 — —
SCHEMBL28809817 0.65 HRH3 (0.35) —
SCHEMBL4393759 0.64 — —
SCHEMBL7411501 0.63 ALDH1A1 (0.35) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964720-B2 Method of making porphyrins NORTH CAROLINA STATE UNIVERSITY (US) 2011-06-21 — — US disclosed
US-7947829-B2 Method of making porphyrins NORTH CAROLINA STATE UNIVERSITY (US) 2011-05-24 — — US disclosed
US-20110105746-A1 METHOD OF MAKING PORPHYRINS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2011-05-05 — — US disclosed
US-20100222573-A1 METHOD OF MAKING PORPHYRINS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2010-09-02 — — US disclosed
US-7745618-B2 Method of making porphyrins NORTH CAROLINA STATE UNIVERSITY (US) 2010-06-29 — — US disclosed
WO-2008108937-A1 METHOD OF MAKING PORPHYRINS NORTH CAROLINA STATE UNIVERSITY (US) 2008-09-12 — — WO disclosed
US-20080221319-A1 METHOD OF MAKING PORPHYRINS NORTH CAROLINA STATE UNIVERSITY (US) 2008-09-11 — — US disclosed
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