SCHEMBL28801753

SCHEMBL28801753

CC(C)CC(NC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PYGB P11216 7/20 0.50
▸ GAA P10253 1/20 0.50
▸ CA12 O43570 3/20 0.44
▸ CA1 P00915 3/20 0.44
▸ CA2 P00918 3/20 0.44
▸ CA9 Q16790 3/20 0.44
▸ TSHR P16473 1/20 0.43

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
Hexadecane SCHEMBL28863912 0.92 PYGB (0.48) PYGBGAACA12CA1CA2
Palmitic Acid SCHEMBL28863897 0.87 PYGB (0.46) PYGBGAATSHR
SCHEMBL15145001 0.87 CD209 (0.45) PYGBCA12CA1CA2CA9
SCHEMBL28419458 0.84 PYGB (0.51) PYGBGAACA12CA1CA2
SCHEMBL20476841 0.84 PYGB (0.51) PYGBGAACA12CA1CA2
SCHEMBL867964 0.84 PYGB (0.51) PYGBGAACA12CA1CA2
SCHEMBL3801496 0.84 PYGB (0.51) PYGBGAACA12CA1CA2
SCHEMBL2012475 0.84 PYGB (0.51) PYGBGAACA12CA1CA2
SCHEMBL27997210 0.84 PYGB (0.51) PYGBGAACA12CA1CA2
SCHEMBL29550937 0.83 PYGB (0.49) PYGBGAACA12CA1CA2

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
CN-114703002-A Composite lubricating material, preparation method thereof and application thereof in space lubrication 中国科学院兰州化学物理研究所 2022-07-05 — — CN claimed
CN-114703002-B Composite lubricating material, preparation method thereof and application thereof in space lubrication 中国科学院兰州化学物理研究所 2022-09-13 — — CN disclosed
CN-114874832-A Gel-diamond-like carbon film composite lubricating material, preparation method thereof and application thereof in mechanical part lubrication 中国科学院兰州化学物理研究所 2022-08-09 — — CN disclosed
CN-114703002-A Composite lubricating material, preparation method thereof and application thereof in space lubrication 中国科学院兰州化学物理研究所 2022-07-05 — — CN disclosed
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