SCHEMBL11201626

SCHEMBL11201626

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

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL1005520 0.81 ALDH1A1 (0.42) ALDH1A1TDP1
SCHEMBL10893444 0.80
SCHEMBL5081277 0.76
SCHEMBL15618242 0.74
SCHEMBL27356874 0.74
SCHEMBL2469720 0.74
SCHEMBL30754352 0.73 CYP2C19 (0.43) ALDH1A1TDP1
SCHEMBL6903513 0.73 CYP2C19 (0.43) ALDH1A1TDP1
SCHEMBL29023824 0.72
SCHEMBL7742976 0.71

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
EP-0080085-A1 Producing methyl ethers from branched monoolefins ALLIED CORPORATION (US) 1983-06-01 EP disclosed