SCHEMBL3262845

SCHEMBL3262845

C=CCOOC(CC)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.33
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
SCHEMBL3259337 0.82 CPA1 (0.39) TSHR
SCHEMBL28662464 0.82 TSHR (0.40) TSHR
SCHEMBL4282143 0.81 TDP1 (0.33) SMN1; SMN2TDP1
SCHEMBL6400338 0.80 MEN1 (0.38) SMN1; SMN2TSHRTDP1
SCHEMBL28631010 0.80 TSHR (0.45) TSHR
SCHEMBL28066091 0.75 SMN1; SMN2 (0.38) SMN1; SMN2TSHRTDP1
SCHEMBL10890472 0.71
SCHEMBL780457 0.71
SCHEMBL10712908 0.71 CA2 (0.41) SMN1; SMN2TSHR
SCHEMBL23829498 0.69

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
WO-2010016801-A1 MELT-STABLE AND HYDROLYSIS RESISTANT HYDROXY ACID POLYMER HYDROCHEM (S) PTE LTD (SG) 2010-02-11 WO claimed