SCHEMBL4843616

SCHEMBL4843616

COc1ccccc1CNCC(O)COc1ccc(-c2nc3cc(Br)cnc3[nH]2)cc1

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
Trifluoroacetic Acid SCHEMBL4844154 0.93 ADRB1 (0.39)
SCHEMBL4838349 0.88 KDM1A (0.39)
SCHEMBL5263244 0.86 ALDH1A1 (0.49)
SCHEMBL4838763 0.86 MEN1 (0.42)
SCHEMBL4844110 0.85 AKT1 (0.44)
SCHEMBL4842323 0.85 ALDH1A1 (0.45)
SCHEMBL4841793 0.85 MAPT (0.41)
SCHEMBL4841671 0.82 CYP3A4 (0.43)
SCHEMBL4843210 0.82 ATM (0.50)
Trifluoroacetic Acid SCHEMBL4845402 0.82 MEN1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539759-B1 NOVEL IMIDAZOPYRIDINES AND THEIR USE ASTRAZENECA AB (SE) 2007-08-15 EP claimed
US-20050261333-A1 Use of and some novel imidazopyridines ASTRAZENECA A B (SE) 2005-11-24 US claimed
US-7410966-B2 Use of and some novel imidazopyridines ASTRAZENECA AB (SE) 2008-08-12 US disclosed
EP-1539759-B1 NOVEL IMIDAZOPYRIDINES AND THEIR USE ASTRAZENECA AB (SE) 2007-08-15 EP disclosed
US-20050261333-A1 Use of and some novel imidazopyridines ASTRAZENECA A B (SE) 2005-11-24 US disclosed