SCHEMBL21753732

SCHEMBL21753732

S=C=NC1CSC(N=C=S)S1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.33

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
SCHEMBL331116 0.78 APLNR (0.41) APLNR
SCHEMBL331874 0.67 APLNR (0.48) APLNR
SCHEMBL1275577 0.60
SCHEMBL330831 0.57 APLNR (0.41) APLNR
SCHEMBL22614581 0.52 APLNR (0.42) APLNR
SCHEMBL22614578 0.52 APLNR (0.42) APLNR
SCHEMBL289935 0.51
SCHEMBL3903198 0.51 APLNR (1.00) APLNR
SCHEMBL3909398 0.51 APLNR (0.65) APLNR
SCHEMBL30992886 0.49

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-2020040141-A1 (METH)ACRYLATE, MONOMER COMPOSITION FOR DENTAL MATERIAL, MOLDED BODY, COMPOSITION FOR DENTAL MATERIAL, DENTAL MATERIAL, AND METHOD FOR PRODUCING (METH)ACRYLATE 三井化学株式会社 2020-02-27 WO disclosed