Hexane

Hexane

SCHEMBL3645235

CCCCCC.C[N+](C)(C)CC(O)P(=O)(O)O.C[N+](C)(C)CC(O)P(=O)(O)O

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FDPS P14324 5/20 0.47
LPAR3 Q9UBY5 3/20 0.45
LPAR2 Q9HBW0 1/20 0.45
LAP3 P28838 2/20 0.44
S1PR2 O95136 7/20 0.39
S1PR1 P21453 7/20 0.39
S1PR3 Q99500 7/20 0.39
S1PR4 O95977 6/20 0.39
BBOX1 O75936 1/20 0.39

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
SCHEMBL14742785 0.89 BBOX1 (0.41) FDPSLAP3BBOX1
SCHEMBL8010 0.89 BBOX1 (0.41) FDPSLAP3BBOX1
Phosphoric Acid SCHEMBL9095324 0.87 BBOX1 (0.41) FDPSBBOX1
Water SCHEMBL17373732 0.87 BBOX1 (0.39) FDPSLAP3BBOX1
Hydrochloric Acid SCHEMBL434365 0.87 MAPT (0.43) FDPSLAP3BBOX1
Bromide SCHEMBL8416789 0.87 BBOX1 (0.39) FDPSLAP3BBOX1
SCHEMBL23270963 0.86 GGPS1 (0.39) FDPSLPAR3LPAR2LAP3S1PR2
Hydrochloric Acid SCHEMBL2355625 0.85 MAPT (0.41) FDPSLAP3BBOX1
Hydrochloric Acid SCHEMBL933391 0.85 MAPT (0.41) FDPSLAP3BBOX1
Hydroxyamine SCHEMBL8584616 0.85 BBOX1 (0.43) LAP3BBOX1

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
US-9884899-B2 Methods for treating fibrosis using CRP antagonists PROMEDIOR, INC. (US) 2018-02-06 US disclosed
EP-2176287-A2 TREATMENT AND DIAGNOSTIC METHODS FOR FIBROSIS RELATED DISORDERS Promedior, Inc. (US) 2010-04-21 EP disclosed
US-20090202520-A1 Treatment and diagnostic methods for fibrosis related disorders PROMEDIOR, INC. (US) 2009-08-13 US disclosed
WO-2009009019-A2 TREATMENT AND DIAGNOSTIC METHODS FOR FIBROSIS RELATED DISORDERS PROMEDIOR, INC. (US) 2009-01-15 WO disclosed