SCHEMBL19003665

SCHEMBL19003665

COC(C)(C)CCOC(C)(C)CN

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MCHR1 Q99705 1/20 0.32

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
SCHEMBL368863 0.84 ALDH1A1 (0.35) ALDH1A1TSHRTDP1MCHR1
SCHEMBL14450206 0.81 KIF11 (0.30)
SCHEMBL8165469 0.80 ALDH1A1 (0.32) ALDH1A1TSHRTDP1
SCHEMBL20881918 0.80 CYP2D6 (0.32)
SCHEMBL24969000 0.79 ALDH1A1 (0.35) ALDH1A1TSHRTDP1MCHR1
SCHEMBL21251539 0.79
SCHEMBL17238501 0.79 CYP2D6 (0.39)
SCHEMBL20881890 0.78 CYP2D6 (0.30)
SCHEMBL18389109 0.78 ALDH1A1 (0.57) ALDH1A1TSHRTDP1
SCHEMBL13467249 0.78 ALDH1A1 (0.38) ALDH1A1TSHRTDP1

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
EP-2762977-B1 METHOD FOR RECYCLING PLATE-MAKING PROCESSING WASTE SOLUTION FUJIFILM CORP (JP) 2017-09-27 EP disclosed
WO-2017106427-A1 METHODS FOR INDUCING BIOORTHOGONAL REACTIVITY FOX JOSEPH (US) 2017-06-22 WO disclosed