Hexane

Hexane

SCHEMBL28055583

C1CCSCC1.CCCCCC

nearest known ligand 0.41

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.41
THRB P10828 1/20 0.41
CYP1A2 P05177 1/20 0.36
LMNA P02545 3/20 0.35
SLC22A1 O15245 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SLC22A2 O15244 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EPHX1 P07099 1/20 0.32
DNM1 Q05193 4/20 0.32
ALDH1A1 P00352 3/20 0.32
HSD17B10 Q99714 1/20 0.32

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 SCHEMBL28791574 0.90 TSHR (0.50) TSHRTHRBLMNASLC22A1MEN1
Tetrahydrothiophene SCHEMBL20544058 0.84 TSHR (0.33) TSHRTHRB
Tetrahydrothiophene SCHEMBL5712295 0.83
Tetrahydrothiophene SCHEMBL15009131 0.82 TSHR (0.38) TSHRTHRBLMNASLC22A1MEN1
Tetrahydrothiophene SCHEMBL15008742 0.82 TSHR (0.38) TSHRTHRBLMNASLC22A1MEN1
Tetrahydrothiophene SCHEMBL15008805 0.80 LMNA (0.30) TSHRLMNA
Octane SCHEMBL22472349 0.80 TSHR (0.57) TSHRTHRBLMNASLC22A1MEN1
Cyclohexane SCHEMBL10453382 0.79 TSHR (0.64) TSHRTHRBCYP1A2LMNASLC22A1
Hexane SCHEMBL5073928 0.79 TSHR (0.64) TSHRTHRBCYP1A2LMNASLC22A1
Cyclohexane SCHEMBL10572382 0.79 TSHR (0.64) TSHRTHRBCYP1A2LMNASLC22A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105527354-A Quantitative determination method of lutein content in high-fat sample INSPECTION & QUARANTINE TECH CENTER OF FUJIAN ENTRY-EXIT INSPECTION & QUARANTINE BUREAU 2016-04-27 CN claimed
CN-106188163-B Trialkyl or triaryl tinbase lithium alkylide and its preparation method and application 中国石油化工股份有限公司 2019-01-25 CN disclosed
CN-104098743-B A kind of random butylbenzene copolymer of multi-arm star of wide distribution polyisocyanates coupling and preparation method thereof 中国石油化工股份有限公司 2017-07-14 CN disclosed
CN-104098788-B Polyisocyanate-prepolymer coupling agent and preparation method thereof 中国石油化工股份有限公司 2017-02-08 CN disclosed
CN-104045772-B Terminal-modified solution-polymerized butadiene and/or isoprene-styrene copolymer and preparation method and application thereof 中国石油化工股份有限公司 2017-02-01 CN disclosed
CN-106188163-A Trialkyl or triaryl tinbase lithium alkylide and its preparation method and application 中国石油化工股份有限公司 2016-12-07 CN disclosed
CN-105527354-A Quantitative determination method of lutein content in high-fat sample INSPECTION & QUARANTINE TECH CENTER OF FUJIAN ENTRY-EXIT INSPECTION & QUARANTINE BUREAU 2016-04-27 CN disclosed
CN-85100324-A Distillate Hydrodewaxing catalyst and preparation method thereof 1986-08-06 CN disclosed