SCHEMBL22974954

SCHEMBL22974954

CCCCO[Ti](OCCCC)(OCCCC)ON1C(=O)c2ccccc2C1=O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.50
▸ RECQL P46063 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ ELANE P08246 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ CA12 O43570 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ NR1H2 P55055 1/20 0.39
▸ NR1H3 Q13133 1/20 0.39
▸ ASAH1 Q13510 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ F2 P00734 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ VDR P11473 1/20 0.38

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
SCHEMBL22974926 0.97 TDP1 (0.50) TDP1RECQLGAAELANEALDH1A1
SCHEMBL14560518 0.78 TDP1 (0.76) TDP1RECQLGAAALDH1A1NR1H2
SCHEMBL22974952 0.73 SMN1; SMN2 (0.33) TDP1
SCHEMBL1537376 0.73 TDP1 (0.69) TDP1RECQLGAAALDH1A1NR1H2
SCHEMBL22974921 0.73 TDP1 (0.51) TDP1RECQLGAAALDH1A1NR1H2
SCHEMBL30865635 0.73 TDP1 (0.48) TDP1RECQLGAAALDH1A1NR1H2
SCHEMBL15775577 0.73 TDP1 (0.48) TDP1RECQLGAAALDH1A1NR1H2
SCHEMBL15377348 0.72 TDP1 (0.67) TDP1RECQLGAAALDH1A1NR1H2
SCHEMBL31578910 0.72 TDP1 (0.67) TDP1RECQLGAAALDH1A1NR1H2
SCHEMBL15027451 0.72 TDP1 (0.67) TDP1RECQLGAAALDH1A1NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3778715-B1 POLYMETALLOXANE, COMPOSITION, CURED FILM, MEMBER, ELECTRONIC COMPONENT, FIBER, BINDER FOR CERAMIC MOLDING, CURED FILM PRODUCTION METHOD, AND FIBER PRODUCTION METHOD TORAY INDUSTRIES (JP) 2022-05-25 — — EP disclosed
US-20210371599-A1 POLYMETALLOXANE, COMPOSITION, CURED FILM, MEMBER, ELECTRONIC COMPONENT, FIBER, BINDER FOR CERAMIC MOLDING, CURED FILM PRODUCTION METHOD, AND FIBER PRODUCTION METHOD TORAY INDUSTRIES, INC. (JP) 2021-12-02 — — US disclosed
EP-3778715-A1 POLYMETALLOXANE, COMPOSITION, CURED FILM, MEMBER, ELECTRONIC COMPONENT, FIBER, BINDER FOR CERAMIC MOLDING, CURED FILM PRODUCTION METHOD, AND FIBER PRODUCTION METHOD Toray Industries, Inc. (JP) 2021-02-17 — — EP disclosed
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