SCHEMBL8725615

SCHEMBL8725615

CC1([N+](=O)[O-])[CH]C=CC=C1

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
SCHEMBL27623082 0.69 KCNA4 (0.30)
SCHEMBL4392979 0.67
SCHEMBL4333677 0.67
SCHEMBL9304937 0.67
SCHEMBL15049687 0.67
SCHEMBL6904629 0.67
SCHEMBL8715894 0.64
Butane SCHEMBL27547118 0.62 TSHR (0.33)
SCHEMBL1245323 0.60
SCHEMBL34467249 0.60 KCNA4 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0751796-A4 CATHETER SYSTEM FOR CONTROLLABLY RELEASING A THERAPEUTIC AGENT AT A REMOTE TISSUE SITE LINDALL ARNOLD W (US) 1998-12-09 EP disclosed
EP-0751796-A1 CATHETER SYSTEM FOR CONTROLLABLY RELEASING A THERAPEUTIC AGENT AT A REMOTE TISSUE SITE Lindall, Arnold W. (US) 1997-01-08 EP disclosed
US-5470307-A IN RESPONSE TO LIGHT ENERGY LINDALL ARNOLD W (US) 1995-11-28 US disclosed
WO-1995024939-A1 CATHETER SYSTEM FOR CONTROLLABLY RELEASING A THERAPEUTIC AGENT AT A REMOTE TISSUE SITE LINDALL ARNOLD W (US) 1995-09-21 WO disclosed