SCHEMBL7030712

SCHEMBL7030712

CCCCC(C)(O[C]=O)C(=O)OCC(C)CCC

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL22844486 0.79 CYP4F2 (0.44) CA1CA2
SCHEMBL9117879 0.76 ACE2 (0.33) CA1CA2
SCHEMBL18388276 0.73 PRKCA (0.47) CA1CA2
SCHEMBL18856312 0.72 CYP4F2 (0.39) CA1CA2
SCHEMBL13101897 0.72 TSHR (0.37) CA1CA2
SCHEMBL7517278 0.71 TSHR (0.35)
SCHEMBL18388526 0.71 TSHR (0.35) CA1CA2
SCHEMBL20747720 0.71 TSHR (0.35) CA1CA2
SCHEMBL8762369 0.69 CYP2D6 (0.33)
SCHEMBL16188167 0.68 CA2 (0.41) CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311469-A1 METHOD FOR PRODUCING BETA- KETOENOL ESTERS BASF AKTIENGESELLSCHAFT (DE) 2003-05-21 EP disclosed
WO-2002016305-A1 METHOD FOR PRODUCING β KETOENOL ESTERS BASF AKTIENGESELLSCHAFT (DE) 2002-02-28 WO disclosed