SCHEMBL3854576

SCHEMBL3854576

O=C(CBr)NC(F)(F)CF

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
SCHEMBL5146601 0.78
SCHEMBL27610488 0.77
SCHEMBL967609 0.72
SCHEMBL1345887 0.72
SCHEMBL966587 0.71
SCHEMBL4743573 0.70
SCHEMBL967625 0.70
SCHEMBL965907 0.70
SCHEMBL2164003 0.67
SCHEMBL13240549 0.67 KDM4C (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888082-B1 MOTILIDE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2012-09-12 EP disclosed
US-7582611-B2 Treating disorders of gastric motility; decreasing side effects of erythromycin A PFIZER INC. (US) 2009-09-01 US disclosed
EP-1888082-A4 MOTILIDE COMPOUNDS PFIZER (US) 2008-12-17 EP disclosed
EP-1888082-A1 MOTILIDE COMPOUNDS Pfizer, Inc. (US) 2008-02-20 EP disclosed
WO-2006127252-A1 MOTILIDE COMPOUNDS PFIZER, INC. (US) 2006-11-30 WO disclosed
US-20060270616-A1 Motilide compounds PFIZER INC. 2006-11-30 US disclosed