SCHEMBL1597817

SCHEMBL1597817

CCC(C)[N+]1([O-])CCNCC1

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
SCHEMBL5767007 0.75
SCHEMBL9242091 0.67
SCHEMBL3573171 0.65
SCHEMBL10341289 0.64
SCHEMBL1788083 0.64
SCHEMBL1596902 0.62 GNAI3 (0.32)
SCHEMBL1597291 0.61
SCHEMBL11037420 0.59
SCHEMBL12381040 0.59
Hydrochloric Acid SCHEMBL9455492 0.59

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
US-7919517-B2 Indazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-04-05 US disclosed
US-20090082348-A1 INDAZOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-03-26 US disclosed
US-7470717-B2 Indazole derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-12-30 US disclosed
US-20070117856-A1 Indazole derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-05-24 US disclosed
EP-1652842-A1 INDAZOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-05-03 EP disclosed