SCHEMBL4090129

SCHEMBL4090129

O=S(=O)(O)C=Cc1nn(-c2ccc(F)cc2)c2c1CCCC2CCc1ccccc1

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
SCHEMBL4090125 1.00
SCHEMBL2719959 0.84 CNR2 (0.52)
SCHEMBL2715801 0.83 CNR2 (0.42)
SCHEMBL4211891 0.74 CNR2 (0.37)
SCHEMBL4211888 0.74 CNR2 (0.37)
SCHEMBL4221080 0.73 CNR2 (0.36)
SCHEMBL4221083 0.73 CNR2 (0.36)
SCHEMBL14003119 0.72 CNR2 (0.45)
SCHEMBL4221069 0.72 CNR2 (0.44)
SCHEMBL4221064 0.72 CNR2 (0.44)

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-20090099143-A1 TETRAHYDRO-INDAZOLE CANNABINOID MODULATORS LAGU BHARAT 2009-04-16 US disclosed
US-7452997-B2 Tetrahydro-indazole cannabinoid modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2008-11-18 US disclosed
EP-1735286-A1 TETRAHYDRO-INDAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-27 EP disclosed
US-20050228034-A1 Tetrahydro-indazole cannabinoid modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-10-13 US disclosed
WO-2005095353-A1 TETRAHYDRO-INDAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-10-13 WO disclosed