SCHEMBL7629302

SCHEMBL7629302

CCCCCCCCCCCCOC(=O)/C=C\C(=O)[O-].CCCCCCCCCCCCOC(=O)/C=C\C(=O)[O-].CCCCCCCCCCCCOC(=O)/C=C\C(=O)[O-].CCCC[Sn+3]

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.61
ATM Q13315 1/20 0.58
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
APP P05067 4/20 0.44
NAAA Q02083 1/20 0.43
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
EPHX1 P07099 1/20 0.41
PRKCA P17252 2/20 0.40

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
Butyl Fumarate SCHEMBL11121036 0.94 ATM (0.67) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL8846775 0.90 HCAR2 (0.69) HCAR2ATMMAPTRAB9ANPSR1
Zinc Ion SCHEMBL9548423 0.90 HCAR2 (0.69) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL8846972 0.90 HCAR2 (0.69) HCAR2ATMMAPTRAB9ANPSR1
Potassium Ion SCHEMBL11798301 0.90 HCAR2 (0.69) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL9679071 0.90 HCAR2 (0.69) HCAR2ATMMAPTRAB9ANPSR1
Stearyl Fumaric Acid SCHEMBL25396 0.90 HCAR2 (0.69) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL10732344 0.90 HCAR2 (0.69) HCAR2ATMMAPTRAB9ANPSR1
Stearyl Fumaric Acid SCHEMBL2431940 0.90 HCAR2 (0.69) HCAR2ATMMAPTRAB9ANPSR1
Stearyl Fumaric Acid SCHEMBL11545461 0.90 HCAR2 (0.69) HCAR2ATMMAPTRAB9ANPSR1

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-0850987-B1 Improved PVC foam compositions MORTON INT INC (US) 2002-03-27 EP disclosed
US-5786399-A PVC foam compositions MORTON INTERNATIONAL, INC. (US) 1998-07-28 US disclosed
EP-0850987-A1 Improved PVC foam compositions MORTON INTERNATIONAL, INC. (US) 1998-07-01 EP disclosed
US-5726213-A FOAMING VINYL CHLORIDE POLYMER BY HEATING MIXTURE OF POLYMER, BLOWING AGENT, STABILIZER INCLUDING ORGANOTIN MERCAPTIDE OF MERCAPTOALKYL CARBOXYLATE OR SULFIDE THEREOF, OPTIONAL ORGANOTIN SALT MORTON INTERNATIONAL, INC. (US) 1998-03-10 US disclosed
US-3953385-A VINYL CHLORIDE POLYMER, BLOWING AGENT, DIORGANOTIN MERCAPTIDE M&T CHEMICALS INC. (US) 1976-04-27 US disclosed