SCHEMBL8763193

SCHEMBL8763193

Cc1ccc(C(C)(C)N=C=O)c(C(C)(C)N=C=O)c1C

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.30
CYP3A4 P08684 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
SCHEMBL8763203 0.79 GABRA1 (0.36) CYP3A4
SCHEMBL11038317 0.77 CYP3A4 (0.33) CYP3A4
SCHEMBL2518844 0.74 CYP3A4 (0.32) TRPA1CYP3A4
SCHEMBL15656870 0.73
Hexamethylbenzene SCHEMBL28232121 0.73 CYP3A4 (0.38) CYP3A4
SCHEMBL12856913 0.73 PDE2A (0.42) TRPA1CYP3A4
SCHEMBL4622186 0.72 CYP3A4 (0.32) TRPA1CYP3A4
SCHEMBL6831708 0.72 GABRA1 (0.35) CYP3A4
SCHEMBL14944474 0.71 TRPA1 (0.33) TRPA1CYP3A4
SCHEMBL197928 0.71 HSD17B10 (0.34) CYP3A4

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 5 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-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