SCHEMBL6669419

SCHEMBL6669419

CCCCCCCCCCCC(=O)OC[C@H]1OC/C(=N\OCc2ccccc2)[C@@H](O)[C@@H]1O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.44
▸ NLRP3 Q96P20 1/20 0.42
▸ CYP2C19 P33261 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MGLL Q99685 3/20 0.39
▸ CDC25B P30305 1/20 0.38
▸ HPSE Q9Y251 1/20 0.37
▸ CETP P11597 1/20 0.36

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
SCHEMBL6668233 0.81 PTPN1 (0.42) PTPN1CYP2C19MAPTCDC25BHPSE
SCHEMBL6668206 0.80 NLRP3 (0.48) NLRP3
SCHEMBL6669114 0.80 NLRP3 (0.48) NLRP3
SCHEMBL6668026 0.80 NLRP3 (0.48) NLRP3
SCHEMBL6668049 0.76 NLRP3 (0.53) NLRP3
SCHEMBL6667668 0.76 NLRP3 (0.53) NLRP3
SCHEMBL6671603 0.76 NLRP3 (0.53) NLRP3
Hexadecanoic Acid Benzyl Ester SCHEMBL1356933 0.71 ALDH1A1 (0.57) PTPN1CETP
SCHEMBL6834886 0.71 ALDH1A1 (0.57) PTPN1CETP
SCHEMBL6832914 0.71 ALDH1A1 (0.57) PTPN1CETP

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1163248-B1 1,5-ANHYDRO-D-FRUCTOSE SUBSTITUTED WITH A HYDROPHOBIC GROUP FOR USE AS ANTI-OXIDANT AND/OR EMULSIFIER DANISCO (DK) 2004-09-22 — — EP disclosed
US-20020102342-A1 1,5-Anhydro-D-fructose substituted with a hydrophobic group for use as anti-oxidant and/or emulsifier DANISCO A/S (DK) 2002-08-01 — — US disclosed
EP-1163248-A1 1,5-ANHYDRO-D-FRUCTOSE SUBSTITUTED WITH A HYDROPHOBIC GROUP FOR USE AS ANTI-OXIDANT AND/OR EMULSIFIER DANISCO A/S (DK) 2001-12-19 — — EP disclosed
WO-2000056745-A1 1,5-ANHYDRO-D-FRUCTOSE SUBSTITUTED WITH A HYDROPHOBIC GROUP FOR USE AS ANTI-OXIDANT AND/OR EMULSIFIER DANISCO A/S (DK) 2000-09-28 — — WO disclosed
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