SCHEMBL1230243

SCHEMBL1230243

CCC(C(C)=O)C(=O)[O-].CCC(C(C)=O)C(=O)[O-].C[O-].[Al+3]

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.37
TSHR P16473 2/20 0.37
NFKB1 P19838 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
CA2 P00918 2/20 0.35
CA1 P00915 4/20 0.33
GAA P10253 1/20 0.31
FFAR3 O14843 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CA4 P22748 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
SCHEMBL1228523 1.00 CYP3A4 (0.37) CYP3A4TSHRNFKB1NPSR1CA2
SCHEMBL4171117 0.97 CYP3A4 (0.39) CYP3A4TSHRNFKB1NPSR1CA2
SCHEMBL107783 0.97 CYP3A4 (0.39) CYP3A4TSHRNFKB1NPSR1CA2
SCHEMBL6683825 0.97 CYP3A4 (0.39) CYP3A4TSHRNFKB1NPSR1CA2
Water SCHEMBL25369622 0.95 CYP3A4 (0.37) CYP3A4TSHRNFKB1NPSR1CA2
SCHEMBL1230753 0.95 TSHR (0.37) CYP3A4TSHRNFKB1NPSR1CA2
SCHEMBL1230539 0.95 CYP3A4 (0.37) CYP3A4TSHRNFKB1NPSR1CA2
SCHEMBL1229436 0.95 CYP3A4 (0.37) CYP3A4TSHRNFKB1NPSR1CA2
SCHEMBL5151546 0.95 TSHR (0.37) CYP3A4TSHRNFKB1NPSR1CA2
SCHEMBL1230696 0.95 CYP3A4 (0.37) CYP3A4TSHRNFKB1NPSR1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1746134-B1 CURABLE COMPOSITION WITH IMPROVED CURABILITY AND ADHESIVENESS KANEKA CORP (JP) 2019-09-04 EP disclosed
EP-1746135-B1 CURABLE COMPOSITION KANEKA CORP (JP) 2019-05-29 EP disclosed
US-7973108-B2 Curable composition KANEKA CORPORATION (JP) 2011-07-05 US disclosed
US-7910681-B2 Curable composition having improved adhesion KANEKA CORPORATION (JP) 2011-03-22 US disclosed
US-7893170-B2 Curable composition having improved curability and adhesion KANEKA CORPORATION (JP) 2011-02-22 US disclosed
US-20080319152-A1 Curable Composition KANEKA CORPORATION (JP) 2008-12-25 US disclosed
US-20080194773-A1 Polysiloxane from silanetriol group, a titanium, aluminum or a zirconium catalyst, and a low molecular weight compound containing a hydrolyzable silicon group; sealants, adhesives KANEKA CORPORATION (JP) 2008-08-14 US disclosed
US-20080076878-A1 Organic polymer having a silane tiol group, a titanium, aluminum or a zirconium catalyst, and a low molecular weight compound containing a hydrolyzable silicon group; sealants, adhesives KANEKA CORPORATION (JP) 2008-03-27 US disclosed
EP-1746135-A1 CURABLE COMPOSITION Kaneka Corporation (JP) 2007-01-24 EP disclosed
EP-1746133-A1 CURABLE COMPOSITION IMPROVED IN ADHESIVENESS Kaneka Corporation (JP) 2007-01-24 EP disclosed
EP-1746134-A1 CURABLE COMPOSITION WITH IMPROVED CURABILITY AND ADHESIVENESS Kaneka Corporation (JP) 2007-01-24 EP disclosed