SCHEMBL8764175

SCHEMBL8764175

CCCCCCC(C#N)(CC)CC

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
THRB P10828 1/20 0.38
GGPS1 O95749 6/20 0.35
FDPS P14324 9/20 0.34
SMPD1 P17405 2/20 0.33
CES2 O00748 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR3 Q9UBY5 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
SCHEMBL12808397 0.93 TSHR (0.36) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL13696917 0.91 TSHR (0.35) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL27759031 0.90 TSHR (0.38) TSHR
SCHEMBL695768 0.90 TSHR (0.42) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL11028136 0.82 LMNA (0.39) TSHRGGPS1FDPSCES2
SCHEMBL9177836 0.81 TDP1 (0.41) TSHR
SCHEMBL25729202 0.80 TSHR (0.46) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL7616020 0.79 TSHR (0.41) TSHRTHRBFDPS
SCHEMBL27485873 0.79 ALDH1A1 (0.30)
SCHEMBL28081146 0.77 TSHR (0.39) TSHRTHRBFDPS

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