Hexane

Hexane

SCHEMBL28065491

CC(C)C(C)(N)C(C)C.CCCCCC

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.43
TSHR P16473 2/20 0.39
THRB P10828 1/20 0.39
DNM1 Q05193 8/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
EPHX1 P07099 1/20 0.36
SPHK1 Q9NYA1 1/20 0.36
FDPS P14324 2/20 0.34
TP53 P04637 1/20 0.34
SMPD1 P17405 1/20 0.33

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
Ethylamine SCHEMBL10520715 0.81 ALDH1A1 (0.32) ALDH1A1
SCHEMBL1980 0.80
Iodide SCHEMBL3097835 0.79 OPRM1 (0.43) OPRM1TSHRTHRBDNM1SPHK1
Alcohol SCHEMBL28625111 0.79 TSHR (0.38) TSHRMEN1KMT2AALDH1A1
SCHEMBL20835241 0.78 OPRM1 (0.41) OPRM1TSHRDNM1SPHK1TP53
Ammonia Solution, Strong SCHEMBL4950713 0.77
Fluoride SCHEMBL73857 0.77
Fluoride SCHEMBL1025919 0.77
Chloromethane SCHEMBL29210875 0.77
Hydrochloric Acid SCHEMBL366445 0.77

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-105566348-A Preparation method of everolimus HARBIN PHARMACEUTICAL GROUP TECH CENTER 2016-05-11 CN claimed
CN-105566348-A Preparation method of everolimus HARBIN PHARMACEUTICAL GROUP TECH CENTER 2016-05-11 CN disclosed