SCHEMBL22974950

SCHEMBL22974950

CC(C)CO[Ti](OCC(C)C)(OCC(C)C)ON1C(=O)CCC1=O

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.32
▸ MEN1 O00255 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ NFKB1 P19838 1/20 0.30
▸ PTGS1 P23219 1/20 0.30
▸ APEX1 P27695 1/20 0.30
▸ THPO P40225 1/20 0.30
▸ PMP22 Q01453 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL22974922 0.96 PIK3CD (0.32) PIK3CDMEN1LMNACYP3A4CYP2C9
SCHEMBL22974951 0.79 LMNA (0.34) LMNA
SCHEMBL22974946 0.76 ALOX12 (0.31) —
SCHEMBL22974935 0.75 — —
SCHEMBL22974932 0.75 LMNA (0.34) LMNA
SCHEMBL22974928 0.75 — —
SCHEMBL18624174 0.74 ALOX12 (0.38) PIK3CDMEN1LMNACYP3A4CYP2C9
SCHEMBL22974952 0.73 SMN1; SMN2 (0.33) LMNAKMT2ATDP1
SCHEMBL22974956 0.71 POLB (0.32) —
SCHEMBL22974931 0.71 POLB (0.32) —

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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