SCHEMBL6896468

SCHEMBL6896468

CC(=O)OC(C(C)=O)(C(C)=O)C(O)CO.CC(=O)OC(C(C)=O)(C(C)=O)C(O)CO

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40

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
SCHEMBL180892 1.00 GAA (0.40) GAA
Methane SCHEMBL27944275 0.98 GAA (0.39) GAA
Acetic Acid SCHEMBL27526894 0.96 GAA (0.38) GAA
Glycerin SCHEMBL28270843 0.94 GAA (0.36) GAA
SCHEMBL4942263 0.88 GAA (0.35) GAA
Citric Acid SCHEMBL27836152 0.83 ALDH1A1 (0.46) GAA
Triacetin SCHEMBL2433899 0.83 PRKCA (0.38) GAA
SCHEMBL4941970 0.83 GAA (0.33) GAA
Phthalic Acid SCHEMBL27953156 0.82 KDM4E (0.41)
Dimethyl Phthalate SCHEMBL27820026 0.80 LMNA (0.41) GAA

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-102511929-A Ventilative shape-fixed compound tip sticks and preparation method thereof YUNNAN ZHENGBANG BIOLOG TECHNOLOGY CO LTD 2012-06-27 CN claimed
CN-207066984-U Triacetyl glycerine applies uniformity supervising device and tobacco processing equipment 福建中烟工业有限责任公司 2018-03-02 CN disclosed
CN-107118194-A A kind of isoflavonoid that can improve cigarette smoking throat comfortableness and preparation method and application 云南中烟工业有限责任公司 2017-09-01 CN disclosed
CN-106957322-A It is a kind of to improve isobenzofuran class compound of cigarette smoking throat comfortableness and preparation method and application 云南中烟工业有限责任公司 2017-07-18 CN disclosed
CN-106858710-A It is a kind of to improve benzisoxa furfuran compound of cigarette smoking effect and preparation method and application 云南中烟工业有限责任公司 2017-06-20 CN disclosed
CN-101897477-B The process of the filter material rod band of the tobacco industry HAUNI MASCHINENBAU AG (DE) 2015-09-09 CN disclosed
CN-102511929-A Ventilative shape-fixed compound tip sticks and preparation method thereof YUNNAN ZHENGBANG BIOLOG TECHNOLOGY CO LTD 2012-06-27 CN disclosed
JP-2004318111-A COLORED PHOTOSENSITIVE RESIN COMPOSITION SUMITOMO CHEM CO LTD 2004-11-11 JP disclosed