Hexane

Hexane

SCHEMBL1706108

C=C.C=C.C=C.C=C.C=C.CCCCCC

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.70
THRB P10828 1/20 0.70
LMNA P02545 3/20 0.60
SLC22A1 O15245 3/20 0.50
SLC22A2 O15244 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
DNM1 Q05193 5/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 1/20 0.47

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 SCHEMBL183946 1.00
Hexane SCHEMBL27926505 1.00 TSHR (0.70) TSHRTHRBLMNASLC22A1SLC22A2
Dodecane SCHEMBL3194472 0.95 TSHR (0.80) TSHRTHRBLMNASLC22A1DNM1
Decane SCHEMBL2861344 0.95 TSHR (0.80) TSHRTHRBLMNASLC22A1DNM1
Heptane SCHEMBL10626541 0.95
Undecane SCHEMBL8719356 0.95 TSHR (0.80) TSHRTHRBLMNASLC22A1DNM1
Tridecane SCHEMBL2861346 0.95 TSHR (0.80) TSHRTHRBLMNASLC22A1DNM1
Hexane SCHEMBL8663898 0.95
Decane SCHEMBL8382473 0.95 TSHR (0.80) TSHRTHRBLMNASLC22A1DNM1
Octane SCHEMBL183681 0.95 TSHR (0.80) TSHRTHRBLMNASLC22A1DNM1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220154017-A1 ALKALI RELEASE SOLUTION FOR GRAVURE PRINTING INK COMPOSITIONS AND RELEASE METHOD USING THE SAME INX INTERNATIONAL INK CO. 2022-05-19 US disclosed
EP-3897978-A1 METHOD FOR REGENERATING A CATALYST WHICH IS SPENT AND REGENERATED BY A HYDRODESULFURIZATION PROCESS OF GASOLINES IFP Energies nouvelles (FR) 2021-10-27 EP disclosed
EP-3898900-A1 PROCESS FOR THE HYDRODESULFURIZATION OF SULFUR-CONTAINING OLEFINIC GASOLINE CUTS USING A REGENERATED CATALYST HAVING AN ORGANIC COMPOUND IFP Energies nouvelles (FR) 2021-10-27 EP disclosed
EP-3897980-A1 METHOD FOR REJUVENATING A CATALYST OF A HYDROPROCESSING AND/OR HYDROCRACKING PROCESS IFP Energies nouvelles (FR) 2021-10-27 EP disclosed
EP-3897979-A1 METHOD FOR REGENERATING A SPENT CATALYST NOT REGENERATED BY A PROCESS FOR THE HYDRODESULFURIZATION OF GASOLINES IFP Energies nouvelles (FR) 2021-10-27 EP disclosed
EP-3814006-A1 CATALYST ADDITIVATED WITH ALKYL LACTATE, PREPARATION THEREOF AND USE THEREOF IN A HYDROTREATING AND/OR HYDROCRACKING PROCESS IFP Energies nouvelles (FR) 2021-05-05 EP disclosed
WO-2020126680-A1 METHOD FOR REJUVENATING A CATALYST OF A HYDROPROCESSING AND/OR HYDROCRACKING PROCESS IFP Energies Nouvelles (FR) 2020-06-25 WO disclosed
WO-2020126679-A1 METHOD FOR REGENERATING A SPENT CATALYST NOT REGENERATED BY A PROCESS FOR THE HYDRODESULFURIZATION OF GASOLINES IFP Energies Nouvelles (FR) 2020-06-25 WO disclosed
WO-2020126676-A1 METHOD FOR REGENERATING A CATALYST WHICH IS SPENT AND REGENERATED BY A HYDRODESULFURIZATION PROCESS OF GASOLINES IFP Energies Nouvelles (FR) 2020-06-25 WO disclosed
WO-2020126678-A1 PROCESS FOR THE HYDRODESULFURIZATION OF SULFUR-CONTAINING OLEFINIC GASOLINE CUTS USING A REGENERATED CATALYST HAVING AN ORGANIC COMPOUND IFP Energies Nouvelles (FR) 2020-06-25 WO disclosed
WO-2020002136-A1 CATALYST BASED ON A BETA-SUBSTITUTED ESTER AND USE THEREOF IN A HYDROTREATMENT AND/OR HYDROCRACKING PROCESS IFP Energies Nouvelles (FR) 2020-01-02 WO disclosed
WO-2020002137-A1 CATALYST BASED ON A BETA-OXYGEN ESTER AND USE THEREOF IN A HYDROTREATING AND/OR HYDROCRACKING PROCESS IFP Energies Nouvelles (FR) 2020-01-02 WO disclosed
WO-2020002139-A1 CATALYST ADDITIVATED WITH ALKYL LACTATE, PREPARATION THEREOF AND USE THEREOF IN A HYDROTREATING AND/OR HYDROCRACKING PROCESS IFP Energies Nouvelles (FR) 2020-01-02 WO disclosed
WO-2020002138-A1 C5 OR C6 ACID ESTER-BASED CATALYST AND USE THEREOF IN A HYDROPROCESSING AND/OR HYDROCRACKING PROCESS IFP Energies Nouvelles (FR) 2020-01-02 WO disclosed
WO-2020002140-A1 CATALYST BASED ON AMINE DERIVATIVES AND USE THEREOF IN A HYDROTREATMENT AND/OR HYDROCRACKING PROCESS IFP Energies Nouvelles (FR) 2020-01-02 WO disclosed
EP-1541655-B1 ADHESIVE COMPOSITION AND SOFT PACKAGING MATERIAL COMPOSITE FILM MITSUI CHEMICALS INC (JP) 2012-04-18 EP disclosed
US-7364796-B2 Adhesive composition and flexible packaging composite film MITSUI TAKEDA CHEMICALS, INC. (JP) 2008-04-29 US disclosed
US-20050272898-A1 Adhesive composition and soft packaging material composite film MITSUI TAKEDA CHEMICALS, INC. (JP) 2005-12-08 US disclosed
EP-1541655-A1 ADHESIVE COMPOSITION AND SOFT PACKAGING MATERIAL COMPOSITE FILM Mitsui Takeda Chemicals, Inc. (JP) 2005-06-15 EP disclosed
US-5783735-A AMIDATION OF FUNCTIONALIZED HYDROCARBON POLYMER WITH A HIGHER OLIGOMER OF ETHYLENEDIAMINE (MORE THAN 6 NITROGENS) GIVES IMPROVED DISPERSANTS EXXON CHEMICAL PATENTS INC. (US) 1998-07-21 US disclosed