SCHEMBL8762285

SCHEMBL8762285

CC(N=C=S)c1ccc(C(C)N=C=S)cc1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MIF P14174 5/20 0.78
TRPA1 O75762 2/20 0.46
TRPV1 Q8NER1 2/20 0.46
PDE2A O00408 2/20 0.31
NOS2 P35228 1/20 0.30

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
SCHEMBL1457324 0.89 MIF (0.64) MIFTRPA1TRPV1
SCHEMBL3923883 0.89 MIF (0.64) MIFTRPA1TRPV1
1-Phenylethyl Isothiocyanate SCHEMBL3795180 0.88 MIF (1.00) MIFTRPA1TRPV1NOS2
1-Phenylethyl Isothiocyanate SCHEMBL27811213 0.88 MIF (1.00) MIFTRPA1TRPV1NOS2
1-Phenylethyl Isothiocyanate SCHEMBL3792824 0.88 MIF (1.00) MIFTRPA1TRPV1NOS2
1-Phenylethyl Isothiocyanate SCHEMBL156959 0.88 MIF (1.00) MIFTRPA1TRPV1NOS2
SCHEMBL9840371 0.87 MIF (0.62) MIFTRPA1TRPV1
SCHEMBL20422083 0.85 MIF (0.62) MIF
SCHEMBL18398873 0.85 MIF (0.62) MIF
1-Phenylethyl Isothiocyanate SCHEMBL27867797 0.83 MIF (0.88) MIFTRPA1TRPV1NOS2

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
EP-0349195-B1 Direct synthesis by cationic polymerization of nitrogen-containing polymers EXXON CHEMICAL PATENTS INC (US) 1997-05-21 EP disclosed
US-5629394-A ENDCAPPING ADDITION POLYMERS WITH NITROGEN FUNCTIONAL GROUPS WHICH CAN BE FURTHER DERIVATIZED EXXON CHEMICAL PATENTS INC (US) 1997-05-13 US disclosed
US-5444135-A Polymerization and functionalization with nitrogen-containing functional groups occur simultaneously EXXON CHEMICAL PATENTS INC. (US) 1995-08-22 US disclosed
US-5336745-A Terminally-substituted polymeric compositions from cationically polymerizable monomers and initiators EXXON CHEMICAL PATENTS INC. (US) 1994-08-09 US disclosed
US-5032653-A Catalysts EXXON CHEMICAL PATENTS, INC. (US) 1991-07-16 US disclosed
EP-0349195-A2 Direct synthesis by cationic polymerization of nitrogen-containing polymers EXXON CHEMICAL PATENTS INC. (US) 1990-01-03 EP disclosed