SCHEMBL8771563

SCHEMBL8771563

CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)O[C@H](CO)[C@H]1O

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 8/20 0.49
LY96 Q9Y6Y9 6/20 0.48
LGALS8 O00214 2/20 0.47
TK2 O00142 2/20 0.47

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
Heptane SCHEMBL8771598 1.00 TLR4 (0.49) TLR4LY96LGALS8TK2
SCHEMBL8822080 1.00 TLR4 (0.49) TLR4LY96LGALS8TK2
SCHEMBL8822072 1.00 TLR4 (0.49) TLR4LY96LGALS8TK2
SCHEMBL9346790 1.00 TLR4 (0.49) TLR4LY96LGALS8TK2
SCHEMBL8195199 1.00 TLR4 (0.49) TLR4LY96LGALS8TK2
SCHEMBL4626068 1.00 TLR4 (0.49) TLR4LY96LGALS8TK2
SCHEMBL9347504 1.00 TLR4 (0.49) TLR4LY96LGALS8TK2
SCHEMBL9342585 0.94 TLR4 (0.54) TLR4LY96TK2
SCHEMBL11504109 0.93 TLR4 (0.49) TLR4LY96TK2
SCHEMBL6269517 0.93 TLR4 (0.51) TLR4LY96

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799235-A1 METHODS FOR THE PREPARATION OF PURE HOMOLOGOUS SERIES OF MONO TO TETRA FATTY ACYL ESTERS OF SUGARS; CHARACTERIZATION OF ONE ANTITUMOR COMPONENT AS MALTOSE 1, 6, 6' TRIPALMITATE: AND PHARMACEUTICAL FORMULATIONS USEFUL IN THE TREATMENT OF CANCER. Université de Sherbrooke (CA) 1997-10-08 EP claimed
US-5625044-A ANTIGROWTH AGENTS FOR CANCER CELLS GOUDREAU GAGE DUBEC & MARTINEAU 1997-04-29 US claimed
WO-1996018632-A1 METHODS FOR THE PREPARATION OF PURE HOMOLOGOUS SERIES OF MONO TO TETRA FATTY ACYL ESTERS OF SUGARS; CHARACTERIZATION OF ONE ANTITUMOR COMPONENT AS MALTOSE 1, 6, 6' TRIPALMITATE: AND PHARMACEUTICAL FORMULATIONS USEFUL IN THE TREATMENT OF CANCER. UNIVERSITE DE SHERBROOKE (CA) 1996-06-20 WO claimed
CN-101450957-A Method for synthesizing maltose fatty acid ester by microwave UNIV TIANJIN SCIENCE & TECH (CN) 2009-06-10 CN disclosed
CN-1323086-C Method for synthesizing fatty ester of maltose UNIV TIANJIN SCIENCE & TECH (CN) 2007-06-27 CN disclosed
EP-0799235-A1 METHODS FOR THE PREPARATION OF PURE HOMOLOGOUS SERIES OF MONO TO TETRA FATTY ACYL ESTERS OF SUGARS; CHARACTERIZATION OF ONE ANTITUMOR COMPONENT AS MALTOSE 1, 6, 6' TRIPALMITATE: AND PHARMACEUTICAL FORMULATIONS USEFUL IN THE TREATMENT OF CANCER. Université de Sherbrooke (CA) 1997-10-08 EP disclosed
US-5625044-A ANTIGROWTH AGENTS FOR CANCER CELLS GOUDREAU GAGE DUBEC & MARTINEAU 1997-04-29 US disclosed
WO-1996018632-A1 METHODS FOR THE PREPARATION OF PURE HOMOLOGOUS SERIES OF MONO TO TETRA FATTY ACYL ESTERS OF SUGARS; CHARACTERIZATION OF ONE ANTITUMOR COMPONENT AS MALTOSE 1, 6, 6' TRIPALMITATE: AND PHARMACEUTICAL FORMULATIONS USEFUL IN THE TREATMENT OF CANCER. UNIVERSITE DE SHERBROOKE (CA) 1996-06-20 WO disclosed
EP-0225774-B1 Process for preparing derivatives of maltose HAYASHIBARA BIOCHEM LAB (JP) 1994-07-27 EP disclosed
US-4683299-A ESTERIFICATION WITH ACID CHLORIDES NEBRASKA DEPARTMENT OF ECONOMIC DEVELOPMENT (US) 1987-07-28 US disclosed
EP-0225774-A2 Process for preparing derivatives of maltose KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 1987-06-16 EP disclosed
US-4148893-A SUGAR ESTER AND DIALKYL SULFOXIDE ENHANCE PENETRATION THROUGH SKIN THE PROCTER & GAMBLE COMPANY (US) 1979-04-10 US disclosed
US-4148924-A Dermatological compositions THE PROCTER & GAMBLE COMPANY (US) 1979-04-10 US disclosed
US-4148874-A ENHANCE PENETRATION OF PHARMOCOLOGICALLY ACTIVE AGENTS THROUGH THE SKIN THE PROCTER & GAMBLE COMPANY (US) 1979-04-10 US disclosed
US-4148887-A SUGAR ESTER WITH A METHYL SULFOXIDE THE PROCTER & GAMBLE COMPANY (US) 1979-04-10 US disclosed
US-4148917-A PENETRATION THE PROCTER & GAMBLE COMPANY (US) 1979-04-10 US disclosed
US-4130667-A A SUCROSE ESTER AND A PHOSPHINE OXIDE THE PROCTER & GAMBLE COMPANY (US) 1978-12-19 US disclosed
US-4130643-A STEROID, SUCROSE ESTER, SULFOXIDE THE PROCTER & GAMBLE COMPANY (US) 1978-12-19 US disclosed
US-4046886-A SUGAR ESTER, PHOSPHINE OXIDE THE PROCTER & GAMBLE COMPANY (US) 1977-09-06 US disclosed
US-3952099-A MICROBIOCIDE, SUGAR ESTER, SULFOXIDE THE PROCTER & GAMBLE COMPANY (US) 1976-04-20 US disclosed