Hexane

Hexane

SCHEMBL5075192

CCCCCC.NNC(N)=O.NNC(N)=O

nearest known ligand 0.59

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.59
CYP1A2 P05177 1/20 0.59
NFKB1 P19838 1/20 0.59
MAOA P21397 1/20 0.59
MAOB P27338 1/20 0.59
THPO P40225 1/20 0.59
LMNA P02545 1/20 0.56
AKR1B1 P15121 1/20 0.50
ALOX15 P16050 2/20 0.48
GPR84 Q9NQS5 7/20 0.48
PPARG P37231 7/20 0.48
PPARD Q03181 7/20 0.48
PPARA Q07869 7/20 0.48
HDAC11 Q96DB2 5/20 0.48
PTPN1 P18031 3/20 0.48
ALDH1A1 P00352 2/20 0.48
TLR2 O60603 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
FABP4 P15090 2/20 0.48
SLC22A6 Q4U2R8 1/20 0.48

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
Hydrazinecarboxamide SCHEMBL5076163 0.88 TSHR (0.67) TSHRCYP1A2NFKB1MAOAMAOB
Stearic Acid SCHEMBL10623185 0.86 GPR84 (0.74) TSHRCYP1A2LMNAAKR1B1ALOX15
Tetrabuthylammonium SCHEMBL29164257 0.86 SLC22A1 (0.52) TSHRCYP1A2NFKB1MAOAMAOB
Hydrazinecarboxamide SCHEMBL5073164 0.84 TSHR (0.71) TSHRCYP1A2NFKB1MAOAMAOB
Hexane SCHEMBL27799263 0.82 MAPT (0.48) TSHRCYP1A2AKR1B1ALOX15GPR84
Hexane SCHEMBL27520164 0.82 EPHX1 (0.50) TSHRAKR1B1ALOX15GPR84PPARG
Hexane SCHEMBL27912520 0.81 CES2 (0.56) TSHRCYP1A2AKR1B1ALOX15GPR84
Dodecane SCHEMBL15418956 0.80 EPHX1 (0.54) TSHRALOX15GPR84PPARGPPARD
Hexadecane SCHEMBL10708387 0.80 EPHX1 (0.54) TSHRALOX15GPR84PPARGPPARD
Hexadecane SCHEMBL28848112 0.80 GPR84 (0.52) TSHRAKR1B1ALOX15GPR84PPARG

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
EP-1233991-B1 PROCESS FOR THE PREPARATION OF A COATING, A COATED SUBSTRATE, AN ADHESIVE, A FILM OR SHEET, FOR THE THUS OBTAINED PRODUCTS AND THE COATING MIXTURE TO BE USED IN THE PROCESS STAHL INT BV (NL) 2008-07-30 EP claimed
US-6893683-B1 Process for the preparation of a coating, a coated substrate, an adhesive, a film or sheet STAHL INTERNATIONAL B.V. (NL) 2005-05-17 US claimed
EP-1233991-A2 PROCESS FOR THE PREPARATION OF A COATING, A COATED SUBSTRATE, AN ADHESIVE, A FILM OR SHEET, FOR THE THUS OBTAINED PRODUCTS AND THE COATING MIXTURE TO BE USED IN THE PROCESS STAHL INTERNATIONAL B.V. (NL) 2002-08-28 EP claimed
WO-2001023451-A2 PROCESS FOR THE PREPARATION OF A COATING, A COATED SUBSTRATE, AN ADHESIVE, A FILM OR SHEET, FOR THE THUS OBTAINED PRODUCTS AND THE COATING MIXTURE TO BE USED IN THE PROCESS STAHL INTERNATIONAL B.V. (NL) 2001-04-05 WO claimed
EP-1233991-B1 PROCESS FOR THE PREPARATION OF A COATING, A COATED SUBSTRATE, AN ADHESIVE, A FILM OR SHEET, FOR THE THUS OBTAINED PRODUCTS AND THE COATING MIXTURE TO BE USED IN THE PROCESS STAHL INT BV (NL) 2008-07-30 EP disclosed
US-6893683-B1 Process for the preparation of a coating, a coated substrate, an adhesive, a film or sheet STAHL INTERNATIONAL B.V. (NL) 2005-05-17 US disclosed
EP-1233991-A2 PROCESS FOR THE PREPARATION OF A COATING, A COATED SUBSTRATE, AN ADHESIVE, A FILM OR SHEET, FOR THE THUS OBTAINED PRODUCTS AND THE COATING MIXTURE TO BE USED IN THE PROCESS STAHL INTERNATIONAL B.V. (NL) 2002-08-28 EP disclosed
WO-2001023451-A2 PROCESS FOR THE PREPARATION OF A COATING, A COATED SUBSTRATE, AN ADHESIVE, A FILM OR SHEET, FOR THE THUS OBTAINED PRODUCTS AND THE COATING MIXTURE TO BE USED IN THE PROCESS STAHL INTERNATIONAL B.V. (NL) 2001-04-05 WO disclosed