SCHEMBL22974949

SCHEMBL22974949

CC(C)(C)O[Ti](ON1C(=O)CCC1=O)(OC(C)(C)C)OC(C)(C)C

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL22974940 0.96 — —
SCHEMBL22974931 0.76 POLB (0.32) —
SCHEMBL22974956 0.76 POLB (0.32) —
SCHEMBL22974932 0.71 LMNA (0.34) —
SCHEMBL22974928 0.71 — —
SCHEMBL22974951 0.71 LMNA (0.34) —
SCHEMBL22974935 0.71 — —
SCHEMBL22974922 0.71 PIK3CD (0.32) —
SCHEMBL22974950 0.71 PIK3CD (0.32) —
SCHEMBL1709061 0.70 PARL (0.33) —

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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