SCHEMBL8762182

SCHEMBL8762182

N#CSCCCCCSC#N

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH3A1 P30838 1/20 0.43
MPO P05164 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL6579911 1.00 ALDH1A1 (0.47) ALDH1A1TP53HPGDTSHRMAPK1
SCHEMBL7110766 1.00 ALDH1A1 (0.47) ALDH1A1TP53HPGDTSHRMAPK1
SCHEMBL6577600 1.00 ALDH1A1 (0.47) ALDH1A1TP53HPGDTSHRMAPK1
SCHEMBL7135015 1.00 ALDH1A1 (0.47) ALDH1A1TP53HPGDTSHRMAPK1
SCHEMBL7140484 1.00 ALDH1A1 (0.47) ALDH1A1TP53HPGDTSHRMAPK1
SCHEMBL9001565 0.96 ALDH1A1 (0.50) ALDH1A1TP53HPGDTSHRMAPK1
SCHEMBL8333845 0.89
SCHEMBL3029615 0.86
SCHEMBL9451397 0.86 TSHR (0.42) ALDH1A1TP53HPGDTSHRMAPK1
SCHEMBL6580529 0.86 TSHR (0.42) ALDH1A1TP53HPGDTSHRMAPK1

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 7 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
US-4399075-A Process for producing chlorinated phenoxytoluene derivatives ASAHI CHEMICAL COMPANY, LIMITED (JP) 1983-08-16 US disclosed