SCHEMBL28600381

SCHEMBL28600381

C=CCS(=O)(=O)OCCCCCCCCCCCCCC.[NaH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 12/20 0.50
CA2 P00918 12/20 0.50
CA9 Q16790 10/20 0.50
CA12 O43570 3/20 0.50
CA7 P43166 3/20 0.50
CA14 Q9ULX7 3/20 0.50
CA3 P07451 2/20 0.50
CA4 P22748 2/20 0.50
CA6 P23280 2/20 0.50
CA5A P35218 2/20 0.50
CA5B Q9Y2D0 2/20 0.50
TSHR P16473 4/20 0.48
RECQL P46063 2/20 0.48
GLA P06280 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
EPHX2 P34913 1/20 0.48
BLM P54132 1/20 0.48
CES2 O00748 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL28405693 1.00 CA1 (0.50) CA1CA2CA9CA12CA7
SCHEMBL27245305 1.00 CA1 (0.50) CA1CA2CA9CA12CA7
SCHEMBL27822399 0.98 CA1 (0.52) CA1CA2CA9CA12CA7
SCHEMBL367216 0.98 CA1 (0.52) CA1CA2CA9CA12CA7
SCHEMBL5857046 0.98 CA1 (0.52) CA1CA2CA9CA12CA7
SCHEMBL1419888 0.98 CA1 (0.48) CA1CA2CA9CA12CA7
SCHEMBL9418535 0.96 CA1 (0.50) CA1CA2CA9CA12CA7
SCHEMBL30893 0.96 CA1 (0.50) CA1CA2CA9CA12CA7
Formaldehyde SCHEMBL5810342 0.94 CA1 (0.48) CA1CA2CA9CA12CA7
Ammonia Solution, Strong SCHEMBL1646991 0.94 CA1 (0.48) CA1CA2CA9CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113185657-B Nano material and preparation method and application thereof 宁波锋成先进能源材料研究院有限公司 2022-07-29 CN claimed
CN-113185657-A Nano material and preparation method and application thereof 宁波锋成先进能源材料研究院有限公司 2021-07-30 CN claimed
CN-113185657-B Nano material and preparation method and application thereof 宁波锋成先进能源材料研究院有限公司 2022-07-29 CN disclosed
CN-113185657-A Nano material and preparation method and application thereof 宁波锋成先进能源材料研究院有限公司 2021-07-30 CN disclosed