SCHEMBL21907146

SCHEMBL21907146

C=C(C)C(=O)OCC(COC(=O)C(=C)CC(C)(C)C(=O)OCC(COC(=O)C(=C)C)OC(=O)NCCOC)OC

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ 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
SCHEMBL11920355 0.91 TSHR (0.35) TSHR
SCHEMBL21904822 0.88 — —
SCHEMBL16921181 0.88 TSHR (0.33) TSHR
SCHEMBL21905015 0.85 CYP3A4 (0.38) —
SCHEMBL21163118 0.85 MTNR1A (0.34) —
SCHEMBL22417596 0.85 TSHR (0.40) TSHR
SCHEMBL21905023 0.82 TSHR (0.42) TSHR
SCHEMBL21905025 0.81 — —
SCHEMBL11920359 0.81 TSHR (0.40) TSHR
SCHEMBL11920351 0.80 MTNR1A (0.36) —

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-2675783-B1 ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES CO (US) 2020-04-22 — — EP disclosed
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