SCHEMBL22644261

SCHEMBL22644261

C=C(C)C(=O)OCC1CC2CC1C1CC3NC3C21

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
TSHR P16473 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
SCHEMBL13084763 0.85 ALDH1A1 (0.45) ALDH1A1TSHR
SCHEMBL20819802 0.80 ALDH1A1 (0.43) ALDH1A1TSHR
SCHEMBL10033687 0.78 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL25549370 0.78 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL11921512 0.78 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL13944254 0.78 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL15356247 0.77 ALDH1A1 (0.43) ALDH1A1TSHR
SCHEMBL15356243 0.76 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL7784033 0.76 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL12641415 0.75 ALDH1A1 (0.44) ALDH1A1TSHR

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
WO-2020226099-A1 COLORED CURABLE RESIN COMPOSITION 住友化学株式会社 2020-11-12 WO disclosed