Hexane

Hexane

SCHEMBL6930185

CCCC=O.CCCCCC

nearest known ligand 0.80

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.80
TSHR P16473 6/20 0.72
FAAH O00519 2/20 0.62
TRPV1 Q8NER1 2/20 0.62
ADH1B P00325 3/20 0.50
ADH1A P07327 3/20 0.50
ADH7 P40394 3/20 0.50
ADH1C P00326 2/20 0.50
EPHX1 P07099 1/20 0.50
ADH4 P08319 1/20 0.50
HIF1A Q16665 1/20 0.47
THRB P10828 1/20 0.44
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
DNM1 Q05193 2/20 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
Decane SCHEMBL5361009 0.97 TSHR (0.78) ALDH1A1TSHRFAAHTRPV1ADH1B
Heptane SCHEMBL6926414 0.97 TSHR (0.78) ALDH1A1TSHRFAAHTRPV1ADH1B
Hexanal SCHEMBL825305 0.94 TSHR (0.83) ALDH1A1TSHRFAAHTRPV1ADH1B
Heptanal SCHEMBL11225715 0.91 TSHR (0.89) ALDH1A1TSHRFAAHTRPV1ADH1B
Pentanal SCHEMBL11142534 0.90 TSHR (0.88) ALDH1A1TSHRFAAHTRPV1ADH1B
Butanal SCHEMBL597713 0.89 ALDH1A1 (1.00) ALDH1A1TSHRFAAHTRPV1ADH1B
Butanal SCHEMBL7323870 0.89
Butanal SCHEMBL9303364 0.89 ALDH1A1 (1.00) ALDH1A1TSHRFAAHTRPV1ADH1B
Butanal SCHEMBL807 0.89
Hexanal SCHEMBL825479 0.89 TSHR (0.75) ALDH1A1TSHRFAAHTRPV1ADH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107533242-A Plastic lens 东海光学株式会社 2018-01-02 CN disclosed
CN-104204864-B Antireflection film 凸版印刷株式会社 2017-09-05 CN disclosed
US-6743953-B2 FORMING MATERIAL HIGH IN TRANS-LUTEIN AND/OR ZEAXANTHIN; SAPONIFIYING MARIGOLD OR CHINESE WOLFBERRY OLEORESIN WITH POTASSIUM HYDROXIDE IN ISOPROPANOL, REMOVING ALCOHOL UNDER REDUCED PRESSURE, DILUTING AND EXTRACTING WITH ETHYL ACETATE KANCOR FLAVOURS & EXTRACTS LTD. (IN) 2004-06-01 US disclosed