SCHEMBL29112747

SCHEMBL29112747

C=C(C)C(=O)OC(CC)NC(C)(C)CCC

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
TSHR P16473 3/20 0.33
THRB P10828 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
Hydrochloric Acid SCHEMBL28086721 0.84 ALDH1A1 (0.34) ALDH1A1TSHRTHRB
SCHEMBL3133727 0.83 TSHR (0.40) ALDH1A1TSHRTHRB
Bromide SCHEMBL28555179 0.83 TSHR (0.37) ALDH1A1TSHRTHRB
Bromide SCHEMBL14353534 0.79 TSHR (0.42) ALDH1A1TSHR
SCHEMBL8748021 0.76 ALDH1A1 (0.41) ALDH1A1TSHRTHRB
Sulfuric Acid SCHEMBL27374221 0.76 TSHR (0.34) ALDH1A1TSHR
SCHEMBL1798321 0.74 ALDH1A1 (0.43) ALDH1A1TSHRTHRB
SCHEMBL516452 0.74 ALDH1A1 (0.43) ALDH1A1TSHRTHRB
SCHEMBL2520779 0.73 ALDH1A1 (0.39) ALDH1A1TSHRTHRB
Hydrochloric Acid SCHEMBL14936083 0.73 ALDH1A1 (0.41) ALDH1A1TSHRTHRB

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
CN-116887899-A Charged depth filter for use in therapeutic biotechnology manufacturing processes 3M创新有限公司 2023-10-13 CN disclosed