SCHEMBL8945064

SCHEMBL8945064

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

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 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
SCHEMBL10012560 0.84 TSHR (0.32) TSHR
SCHEMBL10009888 0.80 TSHR (0.37) TSHR
SCHEMBL3410284 0.77 TSHR (0.46) LMNATSHR
SCHEMBL10010544 0.77 TSHR (0.34) TSHR
SCHEMBL8944923 0.77 ALDH1A1 (0.35) ALDH1A1LMNATSHR
SCHEMBL10009756 0.75 MGAM (0.35) ALDH1A1TSHR
SCHEMBL10012195 0.75 TSHR (0.33) TSHR
SCHEMBL20727109 0.74 TDP1 (0.39) ALDH1A1LMNATSHR
SCHEMBL6670915 0.73 SLC1A1 (0.41) TSHR
SCHEMBL10012506 0.72 TSHR (0.31) TSHR

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-5520834-A VINYL ETHERS BASF AKTIENGESELLSCHAFT (DE) 1996-05-28 US disclosed