SCHEMBL30354089

SCHEMBL30354089

O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.54
CA1 P00915 12/20 0.54
MMP1 P03956 6/20 0.54
MMP2 P08253 6/20 0.54
MMP9 P14780 6/20 0.54
MMP8 P22894 6/20 0.54
MMP13 P45452 6/20 0.54
F2 P00734 4/20 0.48
PRSS1 P07477 4/20 0.48
PRSS2 P07478 4/20 0.48
PRSS3 P35030 4/20 0.48
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
THRB P10828 1/20 0.36
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL23932 1.00 CA2 (0.54) CA2CA1MMP1MMP2MMP9
SCHEMBL332726 0.97 CA2 (0.56) CA2CA1MMP1MMP2MMP9
SCHEMBL1496643 0.97 CA2 (0.52) CA2CA1MMP1MMP2MMP9
SCHEMBL3139152 0.97 CA2 (0.56) CA2CA1MMP1MMP2MMP9
SCHEMBL8437168 0.97 CA2 (0.56) CA2CA1MMP1MMP2MMP9
SCHEMBL6912911 0.97 CA2 (0.52) CA2CA1MMP1MMP2MMP9
SCHEMBL6915199 0.97 CA2 (0.52) CA2CA1MMP1MMP2MMP9
SCHEMBL24140 0.97 CA2 (0.56) CA2CA1MMP1MMP2MMP9
Fluoride SCHEMBL1995965 0.97 CA2 (0.52) CA2CA1MMP1MMP2MMP9
SCHEMBL21802716 0.97 CA2 (0.52) CA2CA1MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118613569-A Compositions comprising 4-isopropyl-1-methyl-7-oxabicyclo [2.2.1] heptan-2-ol or esters or ethers thereof and use thereof as fragrance chemicals 巴斯夫欧洲公司 2024-09-06 CN disclosed
CN-113272302-B Antibiotic compound, method for producing same, pharmaceutical composition containing same, and use thereof 德彪药业国际股份公司 2024-08-13 CN disclosed
CN-113423470-B Cosmetic compounding agent, cosmetic, and method for producing same 三吉油脂株式会社 2024-07-09 CN disclosed
CN-115151541-B Novel compounds and uses thereof 德彪药业国际股份公司 2024-06-25 CN disclosed
CN-111132981-B Process for preparing pyrido [1,2-A ] pyrimidin-4-one derivatives 豪夫迈·罗氏有限公司 2023-10-31 CN disclosed
CN-116813648-A Process for preparing 2- (2, 8-dimethylimidazo [1,2-B ] pyridazin-6-yl) pyrido [1,2-a ] pyrimidin-4-one derivatives 豪夫迈·罗氏有限公司 2023-09-29 CN disclosed
CN-116135920-A Additive for accelerating anaerobic biodegradation of high polymer material and preparation and use methods thereof 纳米及先进材料研发院有限公司 2023-05-19 CN disclosed