Sugi Predict

Sugi Predict / Compounds / 1-Hexanol

1-Hexanol

1-Hexanol

SCHEMBL28255075

CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]4OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]3NS(=O)(=O)O)[C@H](O)[C@H]2OS(=O)(=O)O)[C@H](COS(=O)(=O)O)O[C@H]1O.CCCCCCO

nearest known ligand 0.61

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 3/20 0.61
▸ BDNF P23560 3/20 0.51
▸ MDK P21741 3/20 0.51
▸ PTN P21246 2/20 0.51
▸ BMP2 P12643 3/20 0.49
▸ VEGFA P15692 3/20 0.49
▸ CXCL12 P48061 3/20 0.49
▸ SHH Q15465 2/20 0.49
▸ IFNG P01579 2/20 0.47
▸ CCL2 P13500 2/20 0.47
▸ PF4 P02776 1/20 0.47
▸ SELP P16109 1/20 0.47
▸ BMP6 P22004 1/20 0.47
▸ CCL11 P51671 1/20 0.47
▸ WNT3A P56704 1/20 0.47
▸ SELPLG Q14242 1/20 0.47
▸ FGF2 P09038 3/20 0.40
▸ FGF1 P05230 1/20 0.38
▸ SFRP1 Q8N474 1/20 0.38
▸ SERPINC1 P01008 2/20 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
SCHEMBL11557 0.94 F10 (0.68) F10BDNFMDKPTNBMP2
SCHEMBL28227554 0.94 F10 (0.68) F10BDNFMDKPTNBMP2
SCHEMBL543122 0.94 F10 (0.68) F10BDNFMDKPTNBMP2
SCHEMBL28257936 0.94 F10 (0.58) F10BDNFMDKPTNBMP2
Tetrabuthylammonium SCHEMBL28243195 0.94 F10 (0.60) F10BDNFMDKPTNBMP2
SCHEMBL28281839 0.93 F10 (0.62) F10BDNFMDKPTNBMP2
SCHEMBL29614646 0.93 F10 (0.67) F10BDNFMDKPTNBMP2
Bromide SCHEMBL28881717 0.93 F10 (0.58) F10BDNFMDKPTNBMP2
Water SCHEMBL28083873 0.93 F10 (0.58) F10BDNFMDKPTNBMP2
SCHEMBL28313706 0.93 F10 (0.58) F10BDNFMDKPTNBMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109119598-A A kind of nonaqueous electrolytic solution and secondary cell 微宏动力系统（湖州）有限公司 2019-01-01 — — CN disclosed