Hexane

Hexane

SCHEMBL28784867

CCCCCC.CCCCCCCCN[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 12/20 0.59
▸ MAPK1 P28482 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ PYGB P11216 1/20 0.40

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
SCHEMBL10786697 1.00 GBA1 (0.59) GBA1MAPK1KDM4ELMNACYP2D6
SCHEMBL27919573 1.00 GBA1 (0.59) GBA1MAPK1KDM4ELMNACYP2D6
SCHEMBL30731536 1.00 GBA1 (0.59) GBA1MAPK1KDM4ELMNACYP2D6
SCHEMBL26108670 1.00 GBA1 (0.59) GBA1MAPK1KDM4ELMNACYP2D6
SCHEMBL28491427 1.00 GBA1 (0.59) GBA1MAPK1KDM4ELMNACYP2D6
SCHEMBL23787746 1.00 GBA1 (0.59) GBA1MAPK1KDM4ELMNACYP2D6
SCHEMBL29120516 1.00 GBA1 (0.59) GBA1MAPK1KDM4ELMNACYP2D6
Alcohol SCHEMBL28503992 0.98 GBA1 (0.57) GBA1MAPK1KDM4ELMNACYP2D6
Alcohol SCHEMBL28495161 0.98 GBA1 (0.57) GBA1MAPK1KDM4ELMNACYP2D6
Hydrochloric Acid SCHEMBL28434598 0.98 GBA1 (0.60) GBA1MAPK1KDM4ELMNACYP2D6

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-114721237-A Low-residue CF developing solution and preparation method thereof 福建省佑达环保材料有限公司 2022-07-08 — — CN disclosed
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