Hexane

Hexane

SCHEMBL11235960

CCCCCC.OO.OO

nearest known ligand 0.70

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.70
THRB P10828 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.61
LMNA P02545 3/20 0.60
ALDH1A1 P00352 4/20 0.57
HSD17B10 Q99714 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
AKR1B1 P15121 1/20 0.56
GPR84 Q9NQS5 6/20 0.53
PPARG P37231 6/20 0.53
PPARD Q03181 6/20 0.53
PPARA Q07869 6/20 0.53
HDAC11 Q96DB2 5/20 0.53
TLR2 O60603 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
FABP4 P15090 2/20 0.53
PTPN1 P18031 2/20 0.53
SLC22A6 Q4U2R8 1/20 0.53
SLC22A8 Q8TCC7 1/20 0.53

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 SCHEMBL11134445 1.00
Hexadecane SCHEMBL324236 0.95 TSHR (0.80) TSHRTHRBSMN1; SMN2LMNAALDH1A1
Octane SCHEMBL18614727 0.95 TSHR (0.80) TSHRTHRBSMN1; SMN2LMNAALDH1A1
Octane SCHEMBL11234565 0.95 TSHR (0.80) TSHRTHRBSMN1; SMN2LMNAALDH1A1
Nonane SCHEMBL11226977 0.95 TSHR (0.80) TSHRTHRBSMN1; SMN2LMNAALDH1A1
Heptane SCHEMBL11234776 0.95 TSHR (0.80) TSHRTHRBSMN1; SMN2LMNAALDH1A1
Decane SCHEMBL11227696 0.95 TSHR (0.80) TSHRTHRBSMN1; SMN2LMNAALDH1A1
Decane SCHEMBL11784594 0.95 TSHR (0.80) TSHRTHRBSMN1; SMN2LMNAALDH1A1
Nonane SCHEMBL10467499 0.95 TSHR (0.80) TSHRTHRBSMN1; SMN2LMNAALDH1A1
Dodecane SCHEMBL12471999 0.95 TSHR (0.80) TSHRTHRBSMN1; SMN2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104910058-B A kind of 2,5- dimethyl -2,5- is double(T-butylperoxy)The purification process of hexane 四川宜宾恒德化学有限公司 2018-08-17 CN claimed
CN-104040730-A SOLAR CELL MODULE HAVING EXCELLENT APPEARANCE AND METHOD FOR MANUFACTURING SAME MITSUBISHI PLASTICS INC 2014-09-10 CN disclosed
CN-102712186-B Multilayer blow-molded container, and process for production thereof PRIME POLYMER CO LTD 2014-07-16 CN disclosed
US-4329209-A Process using an oxidant depolarized solid polymer electrolyte chlor-alkali cell PPG INDUSTRIES, INC. (US) 1982-05-11 US disclosed
US-4101394-A REDUCING ELECTRICLA POTENTIAL WITH PEROXY OXIDANT PPG INDUSTRIES, INC. (US) 1978-07-18 US disclosed