SCHEMBL22746596

SCHEMBL22746596

COC(C)(C)COC(C)C(C)COC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL22746612 0.76 MAPK1 (0.42) MAPK1
SCHEMBL22746531 0.73 MAPK1 (0.35) MAPK1
SCHEMBL22746558 0.72 MAPK1 (0.38) MAPK1
SCHEMBL22746597 0.71 MAPK1 (0.40) MAPK1ALDH1A1TSHRTDP1
SCHEMBL15801219 0.69 ALDH1A1 (0.41) ALDH1A1TSHRTDP1
SCHEMBL18840288 0.69 ALDH1A1 (0.45) MAPK1ALDH1A1TSHRTDP1
SCHEMBL25629580 0.67 MAPK1 (0.55) MAPK1
SCHEMBL25629583 0.67 MAPK1 (0.55) MAPK1
SCHEMBL27625703 0.67 MAPK1 (0.55) MAPK1
SCHEMBL21471482 0.63 MAPK1 (0.50) MAPK1

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-3418315-B1 POLYCARBONATE POLYOL UBE INDUSTRIES (JP) 2020-12-02 EP disclosed