Hexane

Hexane

SCHEMBL27799263

CCCCCC.NC(=O)NC(N)=O

nearest known ligand 0.48

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CRBN Q96SW2 1/20 0.48
CES2 O00748 4/20 0.46
CES1 P23141 4/20 0.46
EPHX1 P07099 4/20 0.44
AKR1B1 P15121 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
FAAH O00519 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
SOAT1 P35610 1/20 0.43
ALOX15 P16050 2/20 0.42
HSP90AA1 P07900 1/20 0.42
PPARG P37231 3/20 0.42
PPARD Q03181 3/20 0.42

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
Decane SCHEMBL27678804 0.97 EPHX1 (0.48) MAPTRAB9ANPSR1CES2CES1
Heptane SCHEMBL27707941 0.97 EPHX1 (0.48) MAPTRAB9ANPSR1CES2CES1
SCHEMBL27941231 0.97 EPHX1 (0.48) MAPTRAB9ANPSR1CES2CES1
Tridecane SCHEMBL28108265 0.97 EPHX1 (0.48) MAPTRAB9ANPSR1CES2CES1
Heptane SCHEMBL27709156 0.95 EPHX1 (0.46) MAPTRAB9ANPSR1CES2CES1
Hexane SCHEMBL1245921 0.88 MAPT (0.42) MAPTRAB9ANPSR1CRBNCES2
Hexane SCHEMBL4641225 0.88 MAPT (0.42) MAPTRAB9ANPSR1CRBNCES2
Hexane SCHEMBL10416152 0.88 MAPT (0.42) MAPTRAB9ANPSR1CRBNCES2
Butane SCHEMBL9394572 0.88 CRBN (0.53) MAPTRAB9ANPSR1CRBNCES2
Butane SCHEMBL28303788 0.88 CRBN (0.53) MAPTRAB9ANPSR1CRBNCES2

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
CN-105705543-B Aqueous solidified composition for electro-deposition and radiation curing 湛新奥地利有限公司 2019-08-16 CN disclosed
CN-110023354-A It can the cured water-based composition of energy 湛新比利时股份有限公司 2019-07-16 CN disclosed
CN-104284948-B The water-based emulsion of active energy ray-curable 湛新比利时股份有限公司 2019-02-12 CN disclosed
CN-108431066-A Radiation-curable urethane (methyl) acrylate with residual isocyanate base 湛新荷兰有限公司 2018-08-21 CN disclosed
CN-104031232-B Aqueous radiation curable polyurethane compositions 湛新比利时股份有限公司 2018-05-29 CN disclosed
CN-104203900-B The compound of (methyl) acroleic acid esterification of radiation-hardenable 湛新比利时股份有限公司 2016-10-05 CN disclosed
CN-101945907-B Aqueous radiation curable polyurethane compositions CYTEC SURFACE SPECIALTIES SA 2013-01-02 CN disclosed
CN-101945907-A The aqueous radiation curable polyurethane composition CYTEC SURFACE SPECIALTIES SA 2011-01-12 CN disclosed