SCHEMBL29124797

SCHEMBL29124797

CC(C)C1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LGALS1 P09382 2/20 0.43
LGALS3 P17931 2/20 0.43
LGALS9 O00182 1/20 0.43
LGALS8 O00214 1/20 0.43
PYGB P11216 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
THRB P10828 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL16604340 1.00 LGALS1 (0.43) LGALS1LGALS3LGALS9LGALS8PYGB
SCHEMBL13743026 1.00 LGALS1 (0.43) LGALS1LGALS3LGALS9LGALS8PYGB
SCHEMBL12563251 1.00 LGALS1 (0.43) LGALS1LGALS3LGALS9LGALS8PYGB
SCHEMBL13324374 1.00 LGALS1 (0.43) LGALS1LGALS3LGALS9LGALS8PYGB
SCHEMBL17225751 1.00 LGALS1 (0.43) LGALS1LGALS3LGALS9LGALS8PYGB
SCHEMBL25518939 1.00 LGALS1 (0.43) LGALS1LGALS3LGALS9LGALS8PYGB
SCHEMBL13896454 1.00 LGALS1 (0.43) LGALS1LGALS3LGALS9LGALS8PYGB
SCHEMBL14257099 1.00 LGALS1 (0.43) LGALS1LGALS3LGALS9LGALS8PYGB
SCHEMBL23640046 0.98 LGALS1 (0.47) LGALS1LGALS3LGALS9LGALS8PYGB
SCHEMBL14025369 0.98 LGALS1 (0.47) LGALS1LGALS3LGALS9LGALS8PYGB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117241773-A Polymer medicine bottle with standard external dimensions and reduced internal volume SIO2医疗产品有限公司 2023-12-15 CN claimed
CN-117241773-A Polymer medicine bottle with standard external dimensions and reduced internal volume SIO2医疗产品有限公司 2023-12-15 CN disclosed