Heptane

Heptane

SCHEMBL6130166

C=CCCCCCC.CCCCCCC.Cc1ccccc1

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.61
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.42
ALOX12 P18054 1/20 0.42
ACHE P22303 1/20 0.42
HTT P42858 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
SOAT2 O75908 1/20 0.40
SOAT1 P35610 1/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
FAAH O00519 1/20 0.38
EPHX2 P34913 1/20 0.38
EGFR P00533 1/20 0.37
DNM1 Q05193 1/20 0.37

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
Toluene SCHEMBL11011055 1.00 TSHR (0.61) TSHRALDH1A1LMNAALOX12ACHE
Toluene SCHEMBL11023406 1.00 TSHR (0.61) TSHRALDH1A1LMNAALOX12ACHE
Toluene SCHEMBL8147547 1.00 TSHR (0.61) TSHRALDH1A1LMNAALOX12ACHE
Toluene SCHEMBL782975 1.00 TSHR (0.61) TSHRALDH1A1LMNAALOX12ACHE
Toluene SCHEMBL9153035 0.95 TSHR (0.55) TSHRALDH1A1LMNAALOX12ACHE
Toluene SCHEMBL20497325 0.93 TSHR (0.53) TSHRALDH1A1SOAT2SOAT1FAAH
Toluene SCHEMBL998833 0.92 TSHR (0.58) TSHRALDH1A1LMNAALOX12ACHE
Toluene SCHEMBL20497322 0.92 TSHR (0.52) TSHRALDH1A1SOAT2SOAT1FAAH
Toluene SCHEMBL5084004 0.90 TSHR (0.56) TSHRALDH1A1LMNAALOX12ACHE
Heptane SCHEMBL4604507 0.87 TSHR (0.47) TSHRALDH1A1HTTTDP1SOAT2

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
EP-1358300-A4 IONIC MEMBRANES FOR ORGANIC SULFUR SEPARATION FROM LIQUID HYDROCARBON SOLUTIONS EXXONMOBIL RES & ENG CO (US) 2005-02-02 EP disclosed
EP-1358300-A1 IONIC MEMBRANES FOR ORGANIC SULFUR SEPARATION FROM LIQUID HYDROCARBON SOLUTIONS ExxonMobil Research and Engineering Company (US) 2003-11-05 EP disclosed
WO-2002053682-A1 IONIC MEMBRANES FOR ORGANIC SULFUR SEPARATION FROM LIQUID HYDROCARBON SOLUTIONS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2002-07-11 WO disclosed