SCHEMBL9219149

SCHEMBL9219149

CC(C)(OO)C1CCCC(C(C)(C)OO)C1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL14839192 0.84 ALDH1A1 (0.35) ALDH1A1
SCHEMBL6569868 0.82 ALDH1A1 (0.33) ALDH1A1
SCHEMBL9183925 0.78 ALDH1A1 (0.39) ALDH1A1
Bicarbonate SCHEMBL19206707 0.75 EPHX1 (0.36)
Bicarbonate SCHEMBL9135621 0.73 EPHX1 (0.35)
SCHEMBL4639835 0.70 TRPA1 (0.39)
SCHEMBL4654621 0.70 ALDH1A1 (0.32) ALDH1A1
SCHEMBL19628845 0.70
SCHEMBL9019695 0.69 EPHX1 (0.32)
SCHEMBL17299363 0.66

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
JP-7145144-A None JP disclosed
JP-H07145144-A NEW PEROXY ESTER AND METHOD FOR POLYMERIZING VINYL CHLORIDE-BASED MONOMER SANKEN KAKO KK 1995-06-06 JP disclosed