SCHEMBL22757208

SCHEMBL22757208

CC(=O)CC(C)(C)C(C)(C)OC(C)C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 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
SCHEMBL7952200 0.77 ALDH1A1 (0.35) ALDH1A1TDP1TSHR
SCHEMBL4344736 0.72 ALDH1A1 (0.31) ALDH1A1TDP1TSHR
Acetic Acid SCHEMBL22472063 0.71 CA1 (0.32) ALDH1A1TDP1TSHR
SCHEMBL12707470 0.68 ALDH1A1 (0.37) ALDH1A1TDP1TSHR
SCHEMBL14520947 0.66
SCHEMBL14497602 0.65 ALDH1A1 (0.42) ALDH1A1TDP1TSHR
SCHEMBL21128779 0.65
SCHEMBL12251197 0.64 ALDH1A1 (0.39) ALDH1A1TDP1TSHR
SCHEMBL13554077 0.64 TSHR (0.39) TSHR
SCHEMBL2612023 0.64 ALDH1A1 (0.33) ALDH1A1TDP1TSHR

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-2020244657-A1 ANTI-B7-H4 ANTIBODY–DRUG CONJUGATE AND MEDICINAL USE THEREOF 上海翰森生物医药科技有限公司 2020-12-10 WO disclosed