SCHEMBL21831901

SCHEMBL21831901

O=S(=O)(NC(F)(F)F)C(F)(F)F.[MgH2]

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.48
CA1 P00915 2/20 0.48
CA7 P43166 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
EPHX1 P07099 1/20 0.33
PTPN1 P18031 1/20 0.32
PTPN11 Q06124 1/20 0.31

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
SCHEMBL228558 0.97 CA2 (0.50) CA2CA1CA7CA13EPHX1
Iodide SCHEMBL28344748 0.94 CA2 (0.48) CA2CA1CA7CA13EPHX1
SCHEMBL28529581 0.94 CA2 (0.48) CA2CA1CA7CA13EPHX1
SCHEMBL671116 0.94 CA2 (0.48) CA2CA1CA7CA13EPHX1
SCHEMBL20723413 0.94 CA2 (0.48) CA2CA1CA7CA13EPHX1
SCHEMBL17292686 0.94 CA2 (0.48) CA2CA1CA7CA13EPHX1
SCHEMBL26622383 0.94 CA2 (0.48) CA2CA1CA7CA13EPHX1
SCHEMBL21629339 0.94 CA2 (0.48) CA2CA1CA7CA13EPHX1
SCHEMBL20725006 0.94 CA2 (0.48) CA2CA1CA7CA13EPHX1
SCHEMBL28808914 0.80 CA1 (0.37) CA2CA1EPHX1PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230253552-A1 COATING FOR MAGNESIUM ELECTRODES HONDA MOTOR CO., LTD. (JP) 2023-08-10 US disclosed
CN-114864937-A Preparation method and application of negative electrode protective layer and negative electrode plate of magnesium metal secondary battery 中国科学院青岛生物能源与过程研究所 2022-08-05 CN disclosed
US-11201333-B2 Electro-polymerized protective layer for 3D magnesium battery TOYOTA MOTOR ENGINEERING & MANUFACTURING NORTH AMERICA, INC. (US) 2021-12-14 US disclosed
CN-111916721-A Magnesium-sulfur secondary battery with magnesium-lithium alloy as negative electrode 哈尔滨工业大学 2020-11-10 CN disclosed
US-20200112028-A1 ELECTRO-POLYMERIZED PROTECTIVE LAYER FOR 3D MAGNESIUM BATTERY TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2020-04-09 US disclosed