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SCHEMBL29907221

SCHEMBL29907221

C=C(C)C(=O)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OC(=O)C(=C)C

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.66
▸ ALDH1A1 P00352 2/20 0.40
▸ THRB P10828 1/20 0.39

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
SCHEMBL29990876 1.00 TSHR (0.66) TSHRALDH1A1THRB
SCHEMBL142807 1.00 TSHR (0.66) TSHRALDH1A1THRB
SCHEMBL156577 1.00 TSHR (0.66) TSHRALDH1A1THRB
SCHEMBL30918135 1.00 TSHR (0.66) TSHRALDH1A1THRB
SCHEMBL672401 1.00 TSHR (0.66) TSHRALDH1A1THRB
SCHEMBL7154371 1.00 TSHR (0.66) TSHRALDH1A1THRB
SCHEMBL6823542 1.00 TSHR (0.66) TSHRALDH1A1THRB
SCHEMBL41275 1.00 TSHR (0.66) TSHRALDH1A1THRB
SCHEMBL3343930 1.00 TSHR (0.66) TSHRALDH1A1THRB
SCHEMBL2404839 1.00 TSHR (0.66) TSHRALDH1A1THRB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4312945-A1 SELF-ADHESIVE DENTAL MATERIAL Kulzer GmbH (DE) 2024-02-07 — — EP disclosed
EP-4312947-A1 SELF-ADHESIVE FISSURE SEALANT Kulzer GmbH (DE) 2024-02-07 — — EP disclosed
WO-2022207877-A1 SELF-ADHESIVE DENTAL MATERIAL KULZER GMBH (DE) 2022-10-06 — — WO disclosed
WO-2022207879-A1 SELF-ADHESIVE FISSURE SEALANT KULZER GMBH (DE) 2022-10-06 — — WO disclosed