SCHEMBL18634057

SCHEMBL18634057

C=C(C)C(=O)OCCC1CC2CC(C#N)C1C2

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.36
▸ TSHR P16473 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL18720635 0.86 ALDH1A1 (0.42) THRBTSHRALDH1A1
SCHEMBL18634056 0.76 THRB (0.36) THRBTSHRALDH1A1
SCHEMBL18455465 0.73 THRB (0.33) THRBTSHRALDH1A1
SCHEMBL303126 0.73 — —
SCHEMBL11296267 0.71 THRB (0.40) THRBTSHRALDH1A1
SCHEMBL18634059 0.70 THRB (0.37) THRBTSHRALDH1A1
SCHEMBL18457384 0.70 ALDH1A1 (0.42) THRBTSHRALDH1A1
SCHEMBL23974122 0.69 ALDH1A1 (0.33) TSHRALDH1A1
SCHEMBL9885423 0.69 THRB (0.38) THRBTSHRALDH1A1
SCHEMBL5001408 0.68 THRB (0.43) THRBTSHRALDH1A1

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
US-20170075217-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-03-16 — — US disclosed
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