Hexane

Hexane

SCHEMBL3795665

CCCCCC.CCCCCC.O=[PH](O)O

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.50
THRB P10828 1/20 0.50
CES2 O00748 4/20 0.47
CES1 P23141 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
AKR1B1 P15121 1/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PPARG P37231 6/20 0.43
PPARD Q03181 6/20 0.43
PPARA Q07869 6/20 0.43
HDAC11 Q96DB2 5/20 0.43
GPR84 Q9NQS5 4/20 0.43
TLR2 O60603 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
FABP4 P15090 2/20 0.43
PTPN1 P18031 2/20 0.43

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 SCHEMBL5091030 1.00 TSHR (0.50) TSHRTHRBCES2CES1SMN1; SMN2
Undecane SCHEMBL8809270 0.96 TSHR (0.57) TSHRTHRBCES2CES1ALDH1A1
Decane SCHEMBL3787949 0.96 TSHR (0.57) TSHRTHRBCES2CES1ALDH1A1
Heptane SCHEMBL8811423 0.96 TSHR (0.57) TSHRTHRBCES2CES1ALDH1A1
Dodecane SCHEMBL672738 0.96 TSHR (0.57) TSHRTHRBCES2CES1ALDH1A1
Dodecane SCHEMBL25346560 0.96 TSHR (0.57) TSHRTHRBCES2CES1ALDH1A1
Tetradecane SCHEMBL8985863 0.96 TSHR (0.57) TSHRTHRBCES2CES1ALDH1A1
Decane SCHEMBL5087114 0.96 TSHR (0.57) TSHRTHRBCES2CES1ALDH1A1
Dodecane SCHEMBL5091857 0.96 TSHR (0.57) TSHRTHRBCES2CES1ALDH1A1
Decane SCHEMBL5096159 0.96 TSHR (0.57) TSHRTHRBCES2CES1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8926857-B2 Lubricant for compression refrigerating machine and refrigerating apparatus using the same IDEMITSU KOSAN CO., LTD. (JP) 2015-01-06 US disclosed
US-8491811-B2 Lubricant for compression refrigerating machine and refrigerating apparatus using the same IDEMITSU KOSAN CO., LTD. (JP) 2013-07-23 US disclosed
EP-2075316-B1 LUBRICANT FOR COMPRESSION REFRIGERATING MACHINE IDEMITSU KOSAN CO (JP) 2013-05-29 EP disclosed
US-20100037648-A1 LUBRICANT FOR COMPRESSION REFRIGERATING MACHINE AND REFRIGERATING APPARATUS USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2010-02-18 US disclosed
US-20100005829-A1 LUBRICANT FOR COMPRESSION REFRIGERATING MACHINE AND REFRIGERATING APPARATUS USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2010-01-14 US disclosed
EP-2075316-A1 LUBRICANT FOR COMPRESSION REFRIGERATING MACHINE AND REFRIGERATING APPARATUS USING THE SAME Idemitsu Kosan Co., Ltd. (JP) 2009-07-01 EP disclosed
EP-2075317-A1 LUBRICANT FOR COMPRESSION REFRIGERATING MACHINE AND REFRIGERATING APPARATUS USING THE SAME Idemitsu Kosan Co., Ltd. (JP) 2009-07-01 EP disclosed
US-6797678-B2 OBTAINED BY HEATING AN ACIDIC PHOSPHATE ESTER AND/OR A PHOSPHITE ESTER AND AN IMIDE-BASED DISPERSANT (SUCH AS POLYBUTENYL SUCCINIMIDE) CONTAINING BORON; WEAR RESISTANCE, SCORING RESISTANCE AND PROLONGS SURFACE FATIGUE LIFE IDEMITSU KOSAN CO., LTD. (JP) 2004-09-28 US disclosed
US-20020165102-A1 Lubricating oil composition for cellulose base wet friction material IDEMITSU KOSAN CO., LTD. (JP) 2002-11-07 US disclosed
US-20020055441-A1 Lubricant additive IDEMITSU KOSAN CO., LTD. (JP) 2002-05-09 US disclosed
US-6352962-B1 ADDITIVE FOR TRACTION DRIVE FLUID OBTAINED BY HEATING AT LEAST ONE ESTER SELECTED FROM ACIDIC PHOSPHATE ESTER AND PHOSPHITE ESTER AND SUCCINIMIDE DISPERSANT CONTAINING BORON AT TEMPERATURE OF 120 TO 150 DEGREES C. FOR 5 HOURS OR MORE IDEMITSU KOSAN CO., LTD. (JP) 2002-03-05 US disclosed
US-6303546-B1 CONTAINING PHOSPHATE ESTER, BORON-CONTAINING IMIDE BASE DISPERSANT AND BORON-FREE IMIDE BASE DISPERSANT IDEMITSU KOSAN CO., LTD. (JP) 2001-10-16 US disclosed
EP-1142983-A1 Lubricant additive IDEMITSU KOSAN COMPANY LIMITED (JP) 2001-10-10 EP disclosed
EP-1057884-A1 Traction drive fluid IDEMITSU KOSAN COMPANY LIMITED (JP) 2000-12-06 EP disclosed
EP-1057882-A1 Lubricating oil composition for cellulose base wet friction material IDEMITSU KOSAN CO., LTD. (JP) 2000-12-06 EP disclosed