SCHEMBL22022706

SCHEMBL22022706

COCCOCCOCN(COCCOCCOC)c1nc(N(COCCOCCOC)COCCOCCOC)nc(N(COCCOCCOC)COCCOCCOC)n1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.33
SLC29A1 Q99808 1/20 0.33
CRHR1 P34998 2/20 0.33
CA2 P00918 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
SCHEMBL11131949 0.85 SLC29A1 (0.33) SLC29A1CRHR1
SCHEMBL236952 0.77 MAPT (0.36) HTT
SCHEMBL123963 0.76 ALDH1A1 (0.38) SLC29A1CRHR1
SCHEMBL26134280 0.76 ALDH1A1 (0.38) SLC29A1CRHR1
SCHEMBL23219485 0.74 ALDH1A1 (0.32) SLC29A1
SCHEMBL16850499 0.74 HTT (0.33) HTT
SCHEMBL23219484 0.74 ALDH1A1 (0.32) SLC29A1
SCHEMBL237936 0.74 TSHR (0.38) HTTSLC29A1CRHR1
SCHEMBL12994846 0.74 SLC29A1 (0.44) SLC29A1CRHR1
SCHEMBL15437935 0.72 MAPT (0.38) HTTSLC29A1CRHR1

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
EP-3405459-B1 MELAMINE-POLYETHERS AS DISPERSANTS IN NON-AQUEOUS, LIQUID PIGMENT COMPOSITIONS BASF SE (DE) 2020-06-10 EP disclosed