SCHEMBL18030871

SCHEMBL18030871

C=C(C)C(=O)OCC(CC(C)(C)OC(=O)C(=C)CC(C)(C)C(=O)OCC(CC(C)(C)OC(=O)C(=C)C)OC(=O)CCCC(=O)O)OC(=O)CCCC(=O)O

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30

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
SCHEMBL15894733 0.89 ALDH1A1 (0.36) TSHRALDH1A1LMNA
SCHEMBL14729534 0.82 TSHR (0.37) TSHRALDH1A1LMNA
SCHEMBL19865461 0.82 TSHR (0.35) TSHR
SCHEMBL18030911 0.79 TSHR (0.34) TSHR
SCHEMBL15835252 0.78 TSHR (0.31) TSHR
SCHEMBL15835246 0.78 TSHR (0.39) TSHR
SCHEMBL17036157 0.77 LMNA (0.38) TSHRALDH1A1LMNA
SCHEMBL15894728 0.77 ALDH1A1 (0.41) ALDH1A1LMNA
SCHEMBL14183093 0.77 ALDH1A1 (0.47) TSHRALDH1A1LMNA
SCHEMBL21686082 0.74 TSHR (0.34) TSHR

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-2016133668-A1 ADDITION-FRAGMENTATION OLIGOMERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-08-25 — — WO disclosed
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