SCHEMBL22874099

SCHEMBL22874099

C=C(C)C(=O)OC1(C)CC(C)(C)N(C)C(C)(C)C1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL18133149 0.84 ALDH1A1 (0.34) ALDH1A1
SCHEMBL16623305 0.80 TSHR (0.34) TSHRNFKB1CYP2C19
SCHEMBL13900360 0.80 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL988812 0.78 ALDH1A1 (0.31) ALDH1A1
SCHEMBL17181576 0.77
SCHEMBL13900353 0.76 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL27945670 0.76 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL13900356 0.76 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL10035791 0.74 TSHR (0.31) TSHRNFKB1CYP2C19
SCHEMBL22104133 0.74 SCN1A (0.49) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3163631-B1 RESIN COMPOSITION FOR SOLAR CELL ENCAPSULATING MATERIAL, SOLAR CELL ENCAPSULATING MATERIAL, AND SOLAR CELL MODULE MITSUI CHEMICALS TOHCELLO INC (JP) 2021-01-06 EP disclosed