SCHEMBL6567384

SCHEMBL6567384

CCCCCCCCS(=O)(=O)[O-].CC[N+](C)(C(C)C)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 2/20 0.47
CA2 P00918 5/20 0.41
EPHX2 P34913 1/20 0.40
FAAH O00519 2/20 0.39

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
SCHEMBL4442963 0.93 BBOX1 (0.50) BBOX1CA2EPHX2
SCHEMBL2150446 0.85 BBOX1 (0.46) BBOX1CA2EPHX2FAAH
Fluoride SCHEMBL29057200 0.84 BBOX1 (0.44) BBOX1CA2EPHX2FAAH
Tetramethylammonium Ion SCHEMBL10646575 0.82 BBOX1 (0.54) BBOX1CA2EPHX2FAAH
Tetramethylammonium Ion SCHEMBL5605560 0.82 BBOX1 (0.54) BBOX1CA2EPHX2FAAH
Tetramethylammonium Ion SCHEMBL6436910 0.82 BBOX1 (0.54) BBOX1CA2EPHX2FAAH
Tetramethylammonium Ion SCHEMBL31179830 0.82 BBOX1 (0.54) BBOX1CA2EPHX2FAAH
SCHEMBL4463589 0.82 CA2 (0.50) BBOX1CA2EPHX2FAAH
SCHEMBL4465220 0.82 CA2 (0.50) BBOX1CA2EPHX2FAAH
SCHEMBL4466411 0.82 CA2 (0.50) BBOX1CA2EPHX2FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404520-A2 MULTI-LAYERED SYSTEMS CONTAINING ANTI-STATIC MOULDING MATERIALS Bayer MaterialScience AG (DE) 2004-04-07 EP disclosed
WO-2002085613-A2 MULTI-LAYERED SYSTEMS CONTAINING ANTI-STATIC MOULDING MATERIALS BAYER AKTIENGESELLSCHAFT (DE) 2002-10-31 WO disclosed