SCHEMBL8800537

SCHEMBL8800537

O=C(O)C(=O)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL516304 0.86 CA1 (0.36) TSHRSMN1; SMN2CA1CA2CA9
SCHEMBL8805212 0.79 CA1 (0.32) TSHRCA1CA2CA9
SCHEMBL176317 0.78 CA1 (0.35) TSHRSMN1; SMN2CA1CA2CA9
SCHEMBL3684402 0.77 CA1 (0.36) TSHRCA1CA2CA9MAPT
SCHEMBL5264643 0.75 CA1 (0.30) CA1CA2CA9
SCHEMBL93927 0.75 ALDH1A1 (0.44) TSHRCA1CA2CA9TDP1
SCHEMBL34317 0.75 CA1 (0.36) TSHRSMN1; SMN2CA1CA2CA9
SCHEMBL3697482 0.73 ELANE (0.42) SMN1; SMN2CA1CA2MAPTTDP1
SCHEMBL14464519 0.73 HSD17B10 (0.38) CA1CA2CA9MAPTTDP1
SCHEMBL6047048 0.73 HPGD (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0476930-B1 Enzyme assays SANKYO CO (JP) 1997-11-12 EP claimed
EP-0476930-A1 Enzyme assays Sankyo Company Limited (JP) 1992-03-25 EP claimed
CN-111051388-B Hyperbranched polydiorganosiloxane polyoxamide polymers 3M创新有限公司 2022-09-09 CN disclosed
CN-111448182-A Aztreonam derivative and application thereof 阿里萨制药有限公司 2020-07-24 CN disclosed
EP-0476930-B1 Enzyme assays SANKYO CO (JP) 1997-11-12 EP disclosed
EP-0476930-A1 Enzyme assays Sankyo Company Limited (JP) 1992-03-25 EP disclosed