SCHEMBL20980404

SCHEMBL20980404

CCC(=O)C(C)C[C@H](CCCCN=[N+]=[N-])NC

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
SCHEMBL20980415 0.88 — —
SCHEMBL24012402 0.78 CNR2 (0.32) —
SCHEMBL22375504 0.78 ALB (0.32) —
SCHEMBL22375760 0.72 ADRB2 (0.31) —
SCHEMBL13539965 0.71 NOS1 (0.40) —
SCHEMBL22375469 0.71 FOLH1 (0.33) —
SCHEMBL13539964 0.70 CHRM2 (0.47) —
SCHEMBL24012407 0.69 CNR2 (0.32) —
SCHEMBL16920503 0.69 LTA4H (0.46) —
SCHEMBL16574757 0.69 LTA4H (0.46) —

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
US-20190134214-A1 GLP-1 Receptor Ligand Moiety Conjugated Oligonucleotides and Uses Thereof ASTRAZENECA AB (SE) 2019-05-09 — — US disclosed
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