SCHEMBL28078022

SCHEMBL28078022

CCC(O)CC(=O)C(=O)ON

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC22A16 Q86VW1 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
SCHEMBL4736188 0.77
SCHEMBL16431724 0.76
Hydrochloric Acid SCHEMBL28197451 0.76 GABRR1 (0.30)
SCHEMBL2932369 0.72 SLC22A6 (0.39) SLC22A16
SCHEMBL10167561 0.72 CES1 (0.39) SLC22A16
SCHEMBL5026226 0.71
SCHEMBL1289821 0.69
SCHEMBL14178785 0.69
SCHEMBL27694049 0.69
SCHEMBL10204684 0.68 SLC22A16 (0.32) SLC22A16

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-105745327-A High-yield route for producing compounds from renewable resources 兹莫克姆有限公司 2016-07-06 CN disclosed