SCHEMBL6574605

SCHEMBL6574605

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

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.32
TSHR P16473 2/20 0.32
NFKB1 P19838 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
CA2 P00918 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
SCHEMBL542928 0.90 ALDH1A1 (0.37) TSHRCA2
SCHEMBL17106064 0.88 CYP3A4 (0.39) CYP3A4TSHRNFKB1NPSR1CA2
SCHEMBL1362027 0.85 SMN1; SMN2 (0.31) CYP3A4TSHRNFKB1NPSR1
SCHEMBL17106138 0.85 CA2 (0.40) CYP3A4TSHRNFKB1NPSR1CA2
SCHEMBL17105964 0.82 CA2 (0.44) NFKB1CA2
Acetic Acid SCHEMBL11809463 0.80 CA1 (0.40) CYP3A4TSHRNFKB1NPSR1
SCHEMBL17106111 0.80 CYP3A4 (0.33) CYP3A4TSHRNFKB1NPSR1
SCHEMBL6156177 0.80 TSHR (0.33) CYP3A4TSHRNFKB1NPSR1CA2
SCHEMBL1360391 0.79 SMN1; SMN2 (0.32) CYP3A4TSHRNFKB1NPSR1CA2
SCHEMBL17106146 0.79 CYP3A4 (0.32) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10421865-B2 Rubber-metal adhesive NOK CORPORATION (JP) 2019-09-24 US disclosed
US-10421864-B2 Metal surface processing agent NOK CORPORATION (JP) 2019-09-24 US disclosed
EP-2930257-B1 METAL SURFACE PROCESSING AGENT NOK CORP (JP) 2017-09-27 EP disclosed
US-20170037254-A1 RUBBER-METAL ADHESIVE NOK CORPORATION (JP) 2017-02-09 US disclosed
EP-2930257-A1 METAL SURFACE PROCESSING AGENT NOK Corporation (JP) 2015-10-14 EP disclosed
US-20150274989-A1 Metal Surface Processing Agent NOK CORPORATION (JP) 2015-10-01 US disclosed
EP-1090960-B1 TWO-PACK TYPE CURABLE COMPOSITION AND HARDENER THEREFOR KANEKA CORP (JP) 2004-06-02 EP disclosed
US-6703442-B1 CURING AGENT COMPOSITION FOR TWO-PACK TYPE CURABLE COMPOSITION USE, WHICH COMPRISES HYDROLYZABLE SILYL GROUP-CONTAINING COMPOUND INCLUDING AMINOALKYL GROUP, NON-PHTHALIC ACID ESTER BASED PLASTICIZER, AND BIVALENT TIN BASED CURING CATALYST KANEKA CORPORATION (JP) 2004-03-09 US disclosed
EP-1090960-A1 TWO-PACK TYPE CURABLE COMPOSITION AND HARDENER THEREFOR Kaneka Corporation (JP) 2001-04-11 EP disclosed