SCHEMBL28525565

SCHEMBL28525565

CC(C)C(=O)OC(OC(=O)C(C)(C)C)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.40

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
SCHEMBL14884089 0.86 PRKCA (0.39) PRKCA
SCHEMBL17928315 0.84 TSHR (0.35)
SCHEMBL14884212 0.82 PRKCA (0.37) PRKCA
SCHEMBL18823389 0.82 PRKCA (0.37) PRKCA
SCHEMBL5988357 0.81 TSHR (0.42) PRKCA
SCHEMBL7606479 0.81 TSHR (0.42) PRKCA
SCHEMBL5987688 0.81 TSHR (0.42) PRKCA
SCHEMBL638838 0.79 PRKCA (0.36) PRKCA
SCHEMBL10293859 0.78 PRKCA (0.42) PRKCA
SCHEMBL16072560 0.78 PRKCA (0.38) PRKCA

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
CN-112368259-A Isobutyrate compound having butyryloxy group or pivaloyloxy group at alpha-position, and fragrance composition 三菱瓦斯化学株式会社 2021-02-12 CN disclosed