SCHEMBL7074845

SCHEMBL7074845

CC(=O)OOCCOCCN

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL31669602 1.00 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL13732077 0.86
SCHEMBL8673647 0.81 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL29215222 0.80
SCHEMBL22609539 0.80 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL31438278 0.80 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL20425437 0.80 MEN1 (0.50) ALDH1A1TSHR
SCHEMBL6139537 0.80 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL11100889 0.80 ALDH1A1 (0.37) ALDH1A1TSHR
Acetic Acid SCHEMBL2831687 0.79 FFAR3 (0.39) ALDH1A1TSHR

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-20030082558-A1 Polymerase extension at 3' terminus of PNA-DNA chimera PE CORPORATION (NY) 2003-05-01 US disclosed