SCHEMBL3640916

SCHEMBL3640916

CC(C)CN=C(N)S.CC(C)CN=C(N)S.CC(C)COP(O)O

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.33

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
SCHEMBL11119361 0.82
SCHEMBL21276837 0.82
SCHEMBL8410506 0.80 LMNA (0.37) NOS1
SCHEMBL1921995 0.77
SCHEMBL504341 0.75
Methane SCHEMBL11045573 0.75
SCHEMBL1894944 0.75
SCHEMBL27383844 0.75
SCHEMBL11883804 0.66
SCHEMBL2789898 0.66 NOS3 (0.34) NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007108004-A2 S-ALKYLISOTHIOURONIUM DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES MEDITOR PHARMACEUTICALS LTD. (IL) 2007-09-27 WO claimed
EP-2167050-A1 TASTE MASKED PHARMACEUTICAL COMPOSITIONS OF S-ALKYLISOTHIOURONIUM DERIVATIVES Meditor Pharmaceuticals Ltd. (IL) 2010-03-31 EP disclosed
WO-2008152619-A1 TASTE MASKED PHARMACEUTICAL COMPOSITIONS OF S-ALKYLISOTHIOURONIUM DERIVATIVES MEDITOR PHARMACEUTICALS LTD. (IL) 2008-12-18 WO disclosed
EP-1315505-A4 PHARMACEUTICAL COMPOSITIONS FOR HEADACHE, MIGRAINE, NAUSEA AND EMESIS MEDITOR PHARMACEUTICALS LTD (IL) 2006-02-22 EP disclosed
EP-1315505-A2 PHARMACEUTICAL COMPOSITIONS FOR HEADACHE, MIGRAINE, NAUSEA AND EMESIS Meditor Pharmaceuticals Ltd. (IL) 2003-06-04 EP disclosed
WO-2002019961-A2 PHARMACEUTICAL COMPOSITIONS FOR HEADACHE, MIGRAINE, NAUSEA AND EMESIS MEDITOR PHARMACEUTICALS LTD. (IL) 2002-03-14 WO disclosed