Hexane

Hexane

SCHEMBL272768

CCCCCC.CN(C)O

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.54
THRB P10828 1/20 0.54
SLC22A1 O15245 3/20 0.50
DNM1 Q05193 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
SLC22A2 O15244 1/20 0.50
LMNA P02545 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
HIF1A Q16665 1/20 0.44

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
Hexadecane SCHEMBL9330341 0.96 TSHR (0.61) TSHRTHRBSLC22A1DNM1SMN1; SMN2
Dodecane SCHEMBL6806149 0.96 TSHR (0.61) TSHRTHRBSLC22A1DNM1SMN1; SMN2
Octane SCHEMBL7455677 0.96 TSHR (0.61) TSHRTHRBSLC22A1DNM1SMN1; SMN2
Butane SCHEMBL1285332 0.82
Hexane SCHEMBL5792569 0.82 TSHR (0.64) TSHRTHRBSLC22A1DNM1SMN1; SMN2
Hexane SCHEMBL1972103 0.82 TSHR (0.64) TSHRTHRBSLC22A1DNM1SMN1; SMN2
Dodecane SCHEMBL4314349 0.78 TSHR (0.73) TSHRTHRBSLC22A1DNM1LMNA
Octane SCHEMBL639577 0.78 TSHR (0.73) TSHRTHRBSLC22A1DNM1LMNA
Hexadecane SCHEMBL738410 0.78 TSHR (0.73) TSHRTHRBSLC22A1DNM1LMNA
Decane SCHEMBL738409 0.78 TSHR (0.73) TSHRTHRBSLC22A1DNM1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295438-B2 PROCESS FOR PRODUCING HYDROXYALKYLTRIETHYLENEDIAMINE COMPOUND, AND CATALYST COMPOSITION FOR THE PRODUCTION OF POLYURETHANE RESIN USING THE HYDROXYALKYLTRIETHYLENEDIAMINE COMPOUND TOSOH CORP (JP) 2025-03-26 EP claimed
EP-2295438-B1 PROCESS FOR PRODUCING HYDROXYALKYLTRIETHYLENEDIAMINE COMPOUND, AND CATALYST COMPOSITION FOR THE PRODUCTION OF POLYURETHANE RESIN USING THE HYDROXYALKYLTRIETHYLENEDIAMINE COMPOUND TOSOH CORP (JP) 2015-03-18 EP claimed
US-8135328-B2 Cleaning blade CANON KASEI KABUSHIKI KAISHA (JP) 2012-03-13 US claimed
US-20120041088-A1 FOAMING ADDITIVE FOR PRODUCING POLYURETHANE FOAM, AND METHOD FOR PRODUCING RIGID POLYURETHANE FOAM BY USING IT TOSOH CORPORATION (JP) 2012-02-16 US claimed
US-20110077376-A1 PROCESS FOR PRODUCING HYDROXYALKYLTRIETHYLENEDIAMINE, AND CATALYST COMPOSITION FOR THE PRODUCTION OF POLYURETHANE RESIN USING IT TOSOH CORPORATION (JP) 2011-03-31 US claimed
EP-2295438-A1 PROCESS FOR PRODUCING HYDROXYALKYLTRIETHYLENEDIAMINE COMPOUND, AND CATALYST COMPOSITION FOR THE PRODUCTION OF POLYURETHANE RESIN USING THE HYDROXYALKYLTRIETHYLENEDIAMINE COMPOUND Tosoh Corporation (JP) 2011-03-16 EP claimed
EP-1273604-B1 Method for producing a rigid polyurethane foam TOSOH CORP (JP) 2007-06-13 EP claimed
US-20040162360-A1 Method for producing a rigid polyurethane foam TOSOH CORPORATION (JP) 2004-08-19 US claimed
US-6777456-B2 REACTING POLYOL WITH POLYISOCYANATE IN PRESENCE OF AMINE CATALYST AND BLOWING AGENT, WHEREIN AS AMINE CATALYST, AMINE COMPOUND HAVING SUBSTITUENT SELECTED FROM HYDROXYL GROUP, PRIMARY AMINO GROUP AND SECONDARY AMINO GROUP IS USED TOSOH CORPORATION (JP) 2004-08-17 US claimed
US-20030087981-A1 Floor finish compositions 3M INNOVATIVE PROPERTIES COMPANY 2003-05-08 US claimed
US-20030083393-A1 Method for producing a rigid polyurethane foam TOSOH CORPORATION (JP) 2003-05-01 US claimed
EP-1273604-A1 Method for producing a rigid polyurethane foam Tosoh Corporation (JP) 2003-01-08 EP claimed
US-6197844-B1 Floor finish compositions 3M INNOVATIVE PROPERTIES COMPANY 2001-03-06 US claimed
EP-4733342-A1 METHOD FOR PRODUCING CATALYST COMPOSITION AND METHOD FOR PRODUCING POLYURETHANE FOAM Nitto Kasei Co., Ltd. (JP) 2026-04-29 EP disclosed
EP-4722268-A1 CATALYST COMPOSITION FOR PRODUCTION OF POLYURETHANE FOAM AND METHOD FOR PRODUCING POLYURETHANE FOAM USING SAME Nitto Kasei Co., Ltd. (JP) 2026-04-08 EP disclosed
EP-4190832-B1 POLYISOCYANATE COMPOSITION, COATING COMPOSITION AND COATED SUBSTRATE ASAHI CHEMICAL IND (JP) 2026-04-08 EP disclosed
US-5591781-A AMINE CATALYST, BLOWING AGENT, FOAM STABILIZER TOSOH CORPORATION (JP) 1997-01-07 US disclosed
US-5489663-A TRIMERIZING ALIPHATIC AND/OR CYCLOALIPHATIC DIISOCYANATES USING TETRAALKYLAMMONIUM ALKYL CARBONATE OR MIXTURES WITH QUATERNARY AMMONIOALKYL CARBONATE CATALYSTS, DEACTIVATING CATALYST BASF AKTIENGESELLSCHAFT (DE) 1996-02-06 US disclosed
EP-0668271-A1 Process for the preparation of isocyanurate-group containing polyisocyanates BASF Aktiengesellschaft (DE) 1995-08-23 EP disclosed
EP-0650990-A1 Process for producing polyurethane foam with high curing rate Tosoh Corporation (JP) 1995-05-03 EP disclosed