SCHEMBL8650973

SCHEMBL8650973

CC(C)COP(OCC(C)C)OCC(C)C.CC(C)COP(OCC(C)C)OCC(C)C.CC(C)COP(OCC(C)C)OCC(C)C.Cl[Ru]

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
TP53 P04637 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
SCHEMBL269160 0.91 ALDH1A1 (0.36) ALDH1A1
SCHEMBL8650693 0.88 ALDH1A1 (0.35) ALDH1A1
SCHEMBL30421016 0.88 ALDH1A1 (0.35) ALDH1A1
SCHEMBL8650511 0.86 ALDH1A1 (0.31) ALDH1A1
SCHEMBL9428500 0.86 ALDH1A1 (0.31) ALDH1A1
SCHEMBL27839892 0.80 ALDH1A1 (0.31) ALDH1A1
Carbon Monoxide SCHEMBL8653386 0.80 ALDH1A1 (0.36) ALDH1A1
Carbon Monoxide SCHEMBL8651330 0.80 ALDH1A1 (0.36) ALDH1A1
SCHEMBL24078965 0.78
SCHEMBL3896984 0.77 ALDH1A1 (0.32) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0516982-B1 Process for producing a heterocyclic tertiary amine NISSAN CHEMICAL IND LTD (JP) 1998-09-16 EP disclosed
US-5283341-A Catalytic alkylation NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1994-02-01 US disclosed
EP-0516982-A1 Process for producing a heterocyclic tertiary amine NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1992-12-09 EP disclosed