Trehalose

Trehalose

SCHEMBL7533795

CCCCCCCCCCCCOCCCCCCCCCCCC.OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.52
LGALS8 O00214 2/20 0.51
LGALS3 P17931 2/20 0.51
LGALS4 P56470 2/20 0.51
GJB2 P29033 4/20 0.50
TLR4 O00206 1/20 0.48
CETP P11597 1/20 0.46
GBA2 Q9HCG7 3/20 0.45

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
SCHEMBL9999695 0.93 TLR4 (0.51) MAPK1LGALS8LGALS3LGALS4GJB2
SCHEMBL10016614 0.93 TLR4 (0.51) MAPK1LGALS8LGALS3LGALS4GJB2
SCHEMBL18199629 0.93 TLR4 (0.51) MAPK1LGALS8LGALS3LGALS4GJB2
SCHEMBL30231904 0.88 MAPK1 (0.56) MAPK1LGALS8LGALS3LGALS4GJB2
SCHEMBL19498843 0.88 MAPK1 (0.56) MAPK1LGALS8LGALS3LGALS4GJB2
SCHEMBL23545823 0.88 MAPK1 (0.56) MAPK1LGALS8LGALS3LGALS4GJB2
SCHEMBL12908201 0.88 MAPK1 (0.56) MAPK1LGALS8LGALS3LGALS4GJB2
SCHEMBL28862276 0.88 MAPK1 (0.56) MAPK1LGALS8LGALS3LGALS4GJB2
SCHEMBL927214 0.88 MAPK1 (0.56) MAPK1LGALS8LGALS3LGALS4GJB2
SCHEMBL28156223 0.88 MAPK1 (0.56) MAPK1LGALS8LGALS3LGALS4GJB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0714905-B1 Process for producing trehalose derivatives HAYASHIBARA BIOCHEM LAB (JP) 2002-04-03 EP disclosed
US-5906924-A REACTING ANHYDROUS TREHALOSE UNDER ANHYDROUS CONDITIONS KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGUKU KENKYUJO (JP) 1999-05-25 US disclosed
EP-0714905-A2 Process for producing trehalose derivatives KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 1996-06-05 EP disclosed