Propene

Propene

SCHEMBL23361925

C=CC.C=CC.C=CCOCC=C

nearest known ligand 0.44

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Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CA7 P43166 1/20 0.39
TDP1 Q9NUW8 1/20 0.30
TSHR P16473 1/20 0.30

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
Propene SCHEMBL29001622 1.00 MEN1 (0.44) MEN1POLBKMT2ACA1CA2
Propene SCHEMBL314173 1.00 MEN1 (0.44) MEN1POLBKMT2ACA1CA2
Propene SCHEMBL3261843 0.97 MEN1 (0.42) MEN1POLBKMT2ACA1CA2
Propene SCHEMBL3201893 0.97 MEN1 (0.42) MEN1POLBKMT2ACA1CA2
SCHEMBL15584 0.89
SCHEMBL15068452 0.89 CA1 (0.46) MEN1POLBKMT2ACA1CA2
Ethylene Glycol SCHEMBL3899153 0.88 CA1 (0.38) MEN1POLBKMT2ACA1CA2
Ethylene Glycol SCHEMBL3902382 0.88 CA1 (0.38) MEN1POLBKMT2ACA1CA2
Ethylene Glycol SCHEMBL564504 0.88 CA1 (0.38) MEN1POLBKMT2ACA1CA2
Ethylene Glycol SCHEMBL439633 0.88 CA1 (0.38) MEN1POLBKMT2ACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117362508-A Quaternary ammonium salt cationic vinyl chloride copolymer and method for producing same, resin composition, molded article, and method for producing same 北京化工大学 2024-01-09 CN disclosed
CN-116102673-A Antibacterial additive based on crosslinked antibacterial polymer particles, method for producing same, vinyl chloride resin composition, and molded article 北京化工大学 2023-05-12 CN disclosed
WO-2021095799-A1 AQUEOUS POLYURETHANE DISPERSION, INKJET INK COMPOSITION, AQUEOUS PRINTING INK COMPOSITION, AQUEOUS COATING COMPOSITION, GLUE FOR TEXTILE PRINTING, NONAQUEOUS ELECTROLYTE SECONDARY BATTERY ELECTRODE BINDER, ELECTRODE FOR NONAQUEOUS ELECTROLYTE SECONDARY BATTERIES, AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY 三洋化成工業株式会社 2021-05-20 WO disclosed