SCHEMBL11035638

SCHEMBL11035638

C=C(C(C)(C)C)C(C)(C)C(C)C

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
CYP2C19 P33261 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
SCHEMBL4829929 0.71
SCHEMBL14617194 0.71
SCHEMBL8751405 0.71
SCHEMBL19321684 0.69
SCHEMBL19222788 0.69 ALDH1A1 (0.30) ALDH1A1CYP2C19
Ammonia Solution, Strong SCHEMBL4917394 0.68
SCHEMBL19264068 0.65
SCHEMBL19967746 0.65
SCHEMBL5069892 0.65 ALDH1A1 (0.32) ALDH1A1CYP2C19
SCHEMBL22173694 0.64

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-59021628-A None JP disclosed
JP-S5921628-A PREPARATION OF HEXAMER OF 4C-OLEFIN HIGASHIMURA TOSHINOBU 1984-02-03 JP disclosed