SCHEMBL63801

SCHEMBL63801

CC(C)[C@]1(C(C)(C)C)CNCCN1C(=O)O

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
SCHEMBL2295825 0.75 CHRM5 (0.30)
SCHEMBL1830719 0.75 CHRM5 (0.30)
SCHEMBL308763 0.75
SCHEMBL13735001 0.75 CHRM5 (0.31)
SCHEMBL19096064 0.75
SCHEMBL308452 0.75
SCHEMBL8961813 0.73
Hydrochloric Acid SCHEMBL377442 0.73 HPGD (0.30)
SCHEMBL25167863 0.72 SIGMAR1 (0.30)
SCHEMBL18706549 0.72 SIGMAR1 (0.30)

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-8093239-B2 Imidazopyridine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-01-10 US disclosed
EP-2125748-B1 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2011-05-25 EP disclosed