SCHEMBL7112084

SCHEMBL7112084

CCC(C=C(C)C(=O)OC)(C=C(C)C(=O)OC)C=C(C)C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
TET2 Q6N021 1/20 0.34
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
MAPT P10636 1/20 0.31
EGLN1 Q9GZT9 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
SCHEMBL1254244 0.81 GLO1 (0.32) ALDH1A1
SCHEMBL28596124 0.81 ALDH1A1 (0.34) ALDH1A1TET2MGAMGAASI
SCHEMBL5859486 0.79 ALDH1A1 (0.33) ALDH1A1TET2
SCHEMBL5859477 0.79 ALDH1A1 (0.33) ALDH1A1TET2
SCHEMBL8199751 0.78 ALDH1A1 (0.32) ALDH1A1TET2
SCHEMBL28990015 0.76 ALDH1A1 (0.31) ALDH1A1TET2
SCHEMBL3666371 0.75
SCHEMBL1009438 0.75 PTGS1 (0.32) ALDH1A1
SCHEMBL11032462 0.75 ALDH1A1 (0.40) ALDH1A1TET2
SCHEMBL71370 0.73 ALDH1A1 (0.39) ALDH1A1TET2MAPT

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
WO-2021039982-A1 PARTICLES, AFFINITY PARTICLES HAVING LIGAND FOR TARGET SUBSTANCE, IN VITRO DIAGNOSTIC REAGENT AND KIT THAT INCLUDE SAME, AND METHOD FOR DETECTING TARGET SUBSTANCE キヤノン株式会社 2021-03-04 WO disclosed
US-20030190437-A1 Combination of optical elements MERCK PATENT GESELLSCHAFT MITBESCHRANKTER HAFTUNG (DE) 2003-10-09 US disclosed