SCHEMBL21675666

SCHEMBL21675666

C=Cc1cc(=C/C)/c(=C\C)cc1/C=C\C

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL20669010 0.90
SCHEMBL25952838 0.88 ALDH1A1 (0.35)
SCHEMBL18896546 0.85 HMGCR (0.39) HMGCRCYP3A4
SCHEMBL25795720 0.83
SCHEMBL21651170 0.77
SCHEMBL15008091 0.75 ALDH1A1 (0.33) HMGCRCYP3A4
SCHEMBL24489434 0.74 HMGCR (0.32) HMGCRCYP3A4
SCHEMBL18537209 0.74 MEN1 (0.38) HMGCRCYP3A4
SCHEMBL17031526 0.72 TDP1 (0.36) HMGCRCYP3A4
SCHEMBL25516124 0.70 ALOX15 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200032060-A1 BLENDS OF AROMATIC POLYMERS AND ADDUCTS OBTAINED THEREFROM SOLVAY SPECIALTY POLYMERS USA (US) 2020-01-30 US disclosed