SCHEMBL8762271

SCHEMBL8762271

CC(C)(OC#N)c1ccccc1Cc1ccccc1C(C)(C)OC#N

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 1/20 0.33
RIPK1 Q13546 1/20 0.33
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP1B1 Q16678 1/20 0.31
IDO1 P14902 2/20 0.31
HSPA5 P11021 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
SCHEMBL8763330 0.84 MAPK1 (0.36) SGMS2
SCHEMBL16601461 0.76 HTR2A (0.36) CYP1A2
SCHEMBL8763381 0.75 CYP1A1 (0.34) SGMS2CYP1A1CYP1A2CYP1B1HSPA5
SCHEMBL5435016 0.71 ALDH1A1 (0.48) CYP1A2IDO1HSPA5
SCHEMBL8763434 0.70 CYP1A1 (0.31) CYP1A1CYP1A2CYP1B1HSPA5
SCHEMBL4831574 0.70 MAPK1 (0.56)
SCHEMBL8763186 0.69 GABRA1 (0.36)
SCHEMBL18802709 0.67 HSPA5 (0.42) RIPK1IDO1HSPA5
SCHEMBL8763205 0.67 IDO1 (0.38) SGMS2CYP1A1CYP1A2CYP1B1IDO1
SCHEMBL9349607 0.66 MAPK1 (0.39)

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-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