SCHEMBL4575766

SCHEMBL4575766

O=[N+]([O-])C1(Br)COOC(I)C1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNA4 P22459 2/20 0.40
KCNA1 Q09470 2/20 0.40
KCNAB1 Q14722 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL687804 0.64 KCNA4 (0.45) KCNA4KCNA1KCNAB1
SCHEMBL97282 0.60 KCNA4 (0.56) KCNA4KCNA1KCNAB1
Nibroxane SCHEMBL379346 0.60 KCNA4 (0.55) KCNA4KCNA1KCNAB1
SCHEMBL15642971 0.59 KCNA4 (0.44) KCNA4KCNA1KCNAB1
SCHEMBL10863636 0.58 KCNA4 (0.49) KCNA4KCNA1KCNAB1
SCHEMBL11117151 0.58 KCNA4 (0.49) KCNA4KCNA1KCNAB1
SCHEMBL10447506 0.57 KCNA4 (1.00) KCNA4KCNA1KCNAB1
SCHEMBL11677295 0.57 KCNA4 (0.50) KCNA4KCNA1KCNAB1
SCHEMBL11676480 0.57 KCNA4 (0.50) KCNA4KCNA1KCNAB1
SCHEMBL11787053 0.50

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
US-5593670-A ODOR ABSORBER FOR FABRICS THE PROCTOR & GAMBLE COMPANY (US) 1997-01-14 US claimed
WO-2014145131-A1 SCRUBBING DEBRIS FROM A BORED WELL ICF MERCANTILE, LLC (US) 2014-09-18 WO disclosed
EP-1906734-A1 MICROBIOCIDAL COMPOSITION Thor Specialities (UK) Lmited (GB) 2008-04-09 EP disclosed
WO-2007007080-A1 MICROBIOCIDAL COMPOSITION THOR SPECIALITIES (UK) LIMITED (GB) 2007-01-18 WO disclosed