SCHEMBL9246558

SCHEMBL9246558

CC(CC(C)(C)OOC(C)(C)C)c1ccc(C(=O)O)c(C(C)CC(C)(C)OOC(C)(C)C)c1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 2/20 0.33
ALDH1A1 P00352 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
SCHEMBL9246277 0.88 ALDH1A1 (0.36) ACE2ALDH1A1
SCHEMBL6445692 0.73 ACE2 (0.39) ACE2ALDH1A1
SCHEMBL6446419 0.72 ACE2 (0.38) ACE2ALDH1A1
SCHEMBL6447198 0.71 ACE2 (0.38) ACE2ALDH1A1
SCHEMBL5108693 0.68 ACE2 (0.34) ACE2ALDH1A1
SCHEMBL6444223 0.67 ACE2 (0.36) ACE2ALDH1A1
SCHEMBL5695480 0.65 ACE2 (0.39) ACE2ALDH1A1
SCHEMBL11216320 0.65 ACE2 (0.39) ACE2ALDH1A1
SCHEMBL17797821 0.64 ALDH1A1 (0.38) ACE2ALDH1A1
SCHEMBL17797916 0.64 ALDH1A1 (0.35) ACE2ALDH1A1

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-0423639-B1 Peroxide masterbatches using polycaprolactone as the carrier ATOCHEM NORTH AMERICA (US) 1995-09-20 EP claimed
US-5238978-A Homogeneous dispersion; safe storage and handling ELF ATOCHEM NORTH AMERICA INC. (US) 1993-08-24 US disclosed