SCHEMBL21162448

SCHEMBL21162448

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

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.39
▸ HPGD P15428 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL23111350 0.78 TSHR (0.44) TSHRHPGDALDH1A1
SCHEMBL2170363 0.77 CYP2C19 (0.38) TSHRALDH1A1
SCHEMBL24405363 0.76 TSHR (0.35) TSHRHPGDALDH1A1
SCHEMBL11746996 0.75 TSHR (0.46) TSHRHPGDALDH1A1
SCHEMBL1284885 0.75 TSHR (0.46) TSHRHPGDALDH1A1
SCHEMBL26841662 0.74 TSHR (0.50) TSHRHPGDALDH1A1
Ethylene SCHEMBL27829174 0.73 TSHR (0.45) TSHRHPGDALDH1A1
Ammonia Solution, Strong SCHEMBL28352250 0.73 TSHR (0.45) TSHRHPGDALDH1A1
SCHEMBL23494265 0.73 TSHR (0.42) TSHRHPGDALDH1A1
SCHEMBL23494186 0.73 TSHR (0.42) TSHRHPGDALDH1A1

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-3073494-B1 CONDUCTIVE MATERIAL AND SUBSTRATE SHINETSU CHEMICAL CO (JP) 2019-06-26 — — EP disclosed
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