SCHEMBL9012995

SCHEMBL9012995

CC1(C)OCCCOCCOC(C)(C)C(C)(C)OCCOC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
TTR P02766 1/20 0.33
TSHR P16473 1/20 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
SCHEMBL5317147 0.88 TTR (0.43) TTR
SCHEMBL9735039 0.88 TTR (0.43) TTR
SCHEMBL4404074 0.78
SCHEMBL2611899 0.71 ALDH1A1 (0.70) ALDH1A1TTRTSHR
SCHEMBL8863242 0.71 ALDH1A1 (0.70) ALDH1A1TTRTSHR
SCHEMBL1165222 0.71 ALDH1A1 (0.70) ALDH1A1TTRTSHR
SCHEMBL140030 0.71
SCHEMBL6742777 0.71 ALDH1A1 (0.70) ALDH1A1TTRTSHR
SCHEMBL30107703 0.71 ALDH1A1 (0.70) ALDH1A1TTRTSHR
SCHEMBL4950719 0.71 ALDH1A1 (0.70) ALDH1A1TTRTSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8245617-A None JP disclosed
JP-H08245617-A COMPOUND OF LIGAND HAVING SELECTIVITY AGAINST SODIUM ION AND ION SENSOR SUZUKI KOJI 1996-09-24 JP disclosed