Sugi Predict

Sugi Predict / Compounds / Hexane

Hexane

Hexane

SCHEMBL9660285

CCCCCC.CCCCCC.CCCCCC.CCCCCC.ClCCCl.ClCCCl.ClCCCl.ClCCCl.ClCCCl.ClCCCl

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 7/20 0.71
▸ ALDH1A1 P00352 4/20 0.71
▸ TDP1 Q9NUW8 1/20 0.69
▸ THRB P10828 1/20 0.58
▸ LMNA P02545 3/20 0.50
▸ SLC22A1 O15245 3/20 0.44
▸ SLC22A2 O15244 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ DNM1 Q05193 5/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
Hexane SCHEMBL420466 1.00 TSHR (0.71) TSHRALDH1A1TDP1THRBLMNA
Heptane SCHEMBL9531613 0.96 TSHR (0.79) TSHRALDH1A1TDP1THRBLMNA
Tetradecane SCHEMBL28244850 0.96 TSHR (0.79) TSHRALDH1A1TDP1THRBLMNA
1,2-Dichloroethane SCHEMBL28113335 0.92 TSHR (0.86) TSHRALDH1A1TDP1THRBLMNA
Pentane SCHEMBL7087547 0.91 — —
Hexane SCHEMBL1233732 0.89 TSHR (0.59) TSHRALDH1A1TDP1THRBLMNA
SCHEMBL276808 0.87 — —
Hexane SCHEMBL8845002 0.87 TSHR (0.92) TSHRALDH1A1TDP1THRBLMNA
SCHEMBL9285670 0.87 TSHR (0.92) TSHRALDH1A1TDP1THRBLMNA
Hexane SCHEMBL8668030 0.87 TSHR (0.79) TSHRALDH1A1TDP1THRBLMNA

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
US-5171330-A Anticloud agents; motor vehicles, aircraft engines SOCIETA' ITALIANA ADDITIVI PER CARBURANTI (IT) 1992-12-15 — — US disclosed