SCHEMBL446294

SCHEMBL446294

C=CC[C@@H](N[S+]([O-])C(C)(C)C)c1cc(F)ccc1Br

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
SCHEMBL430901 1.00
SCHEMBL430906 1.00
SCHEMBL449322 1.00
SCHEMBL22175068 0.89 PSEN1 (0.35)
SCHEMBL22042069 0.89 PSEN1 (0.35)
SCHEMBL22042046 0.89 PSEN1 (0.35)
SCHEMBL17582225 0.89 PSEN1 (0.35)
SCHEMBL22042045 0.89 PSEN1 (0.35)
SCHEMBL17582226 0.89 PSEN1 (0.35)
SCHEMBL29618151 0.89 PSEN1 (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
EP-2678338-B1 PYRAZOLO[1,5-A]PYRIDINES AS TRK INHIBITORS NOVARTIS AG (CH) 2015-09-09 EP disclosed
US-9102671-B2 Compounds and compositions as TRK inhibitors NOVARTIS AG (CH) 2015-08-11 US disclosed
US-8637516-B2 Compounds and compositions as TRK inhibitors IRM LLC (BM) 2014-01-28 US disclosed
EP-2678338-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2014-01-01 EP disclosed
US-20130331397-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2013-12-12 US disclosed
WO-2012116217-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-08-30 WO disclosed
US-20120065184-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 US disclosed