SCHEMBL28068960

SCHEMBL28068960

C=CC(C)=O.C=COCCCC

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.53
HPGD P15428 1/20 0.53
ALDH1A1 P00352 4/20 0.46
ATM Q13315 1/20 0.42
THRB P10828 3/20 0.38
ZDHHC20 Q5W0Z9 2/20 0.37
HCAR2 Q8TDS4 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
CES2 O00748 1/20 0.35
CYP3A4 P08684 1/20 0.34
THRA P10827 1/20 0.33
PLA2G2C Q5R387 1/20 0.33

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
Acetic Acid SCHEMBL17821475 0.89 TSHR (0.50) TSHRHPGDALDH1A1ATMTHRB
SCHEMBL25430967 0.88 TSHR (0.53) TSHRHPGDALDH1A1ATMTHRB
Acrylic Acid SCHEMBL27998564 0.88 TSHR (0.53) TSHRHPGDALDH1A1ATMTHRB
SCHEMBL19482 0.84
Methacrylic Acid SCHEMBL28234889 0.84 TSHR (0.46) TSHRHPGDALDH1A1ATMTHRB
SCHEMBL19900667 0.84 ALDH1A1 (0.47) TSHRHPGDALDH1A1ATMTHRB
Butadiene SCHEMBL28258041 0.83 TSHR (0.48) TSHRHPGDALDH1A1ATMTHRB
Acrylic Acid Methyl Ester SCHEMBL27819937 0.82 TSHR (0.58) TSHRHPGDALDH1A1ATMTHRB
Alcohol SCHEMBL17821482 0.82 TSHR (0.45) TSHRHPGDALDH1A1ATMTHRB
SCHEMBL10346100 0.82 TSHR (0.45) TSHRHPGDALDH1A1ATMTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110024202-A INORGANIC PARTICLES FOR NONAQUEOUS ELECTROLYTE BATTERY 旭化成株式会社 2019-07-16 CN disclosed
CN-110024175-A Nonaqueous electrolyte battery inorganic particle and the nonaqueous electrolyte battery for using it 旭化成株式会社 2019-07-16 CN disclosed
CN-109565020-A Non-aqueous secondary battery functional layer composition, non-aqueous secondary battery functional layer, the manufacturing method of non-aqueous secondary battery and non-aqueous secondary battery electrode 日本瑞翁株式会社 2019-04-02 CN disclosed
CN-105830257-B Slurry composition for negative electrode of lithium ion secondary battery, negative electrode for lithium ion secondary battery, and lithium ion secondary battery 日本瑞翁株式会社 2018-09-14 CN disclosed
CN-108475749-A Lithium rechargeable battery heat-sensitive layer 日本瑞翁株式会社 2018-08-31 CN disclosed
CN-105247718-B Lithium ion secondary battery electrode adhesive composition, electrode slurry for lithium ion secondary battery composition, electrode for lithium ion secondary battery and lithium rechargeable battery 日本瑞翁株式会社 2018-08-14 CN disclosed
CN-105900272-B Secondary cell adhesive composition 日本瑞翁株式会社 2018-08-03 CN disclosed
CN-108352531-A Electrode for lithium ion secondary battery 日本瑞翁株式会社 2018-07-31 CN disclosed
CN-105900271-B Binder composition for secondary battery 日本瑞翁株式会社 2018-07-17 CN disclosed
CN-107615554-A All solid state secondary battery 日本瑞翁株式会社 2018-01-19 CN disclosed
CN-104812579-B Multilayer porous film, method for producing same, and separator for nonaqueous electrolyte battery 旭化成株式会社 2017-05-31 CN disclosed
CN-104396060-B Lithium rechargeable battery 日本瑞翁株式会社 2017-05-31 CN disclosed
CN-105074977-B Binder composition for secondary battery electrode, method for producing same, slurry composition for secondary battery electrode, electrode for secondary battery, and secondary battery 日本瑞翁株式会社 2017-03-15 CN disclosed
CN-104904042-B Slurry for positive electrode of lithium ion secondary battery 日本瑞翁株式会社 2017-03-15 CN disclosed
CN-104823308-B Lithium rechargeable battery 日本瑞翁株式会社 2017-03-08 CN disclosed
CN-104221194-B Lithium ion secondary battery 日本瑞翁株式会社 2016-11-23 CN disclosed
CN-103797613-B slurry for secondary battery 日本瑞翁株式会社 2016-08-31 CN disclosed
CN-105900271-A Binder composition for secondary battery 日本瑞翁株式会社 2016-08-24 CN disclosed
CN-105900272-A Secondary cell binder composition 日本瑞翁株式会社 2016-08-24 CN disclosed
CN-103563133-B Composite particle for positive electrode of lithium secondary battery, method for producing positive electrode for lithium secondary battery, and lithium secondary battery 日本瑞翁株式会社 2016-08-17 CN disclosed