SCHEMBL18634059

SCHEMBL18634059

C=C(C)C(=O)OCCC1CC2CC1CC2CC#N

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.37
▸ TSHR P16473 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL18850131 0.86 ALDH1A1 (0.44) THRBTSHRALDH1A1
SCHEMBL18400936 0.86 ALDH1A1 (0.44) THRBTSHRALDH1A1
SCHEMBL18785989 0.78 THRB (0.37) THRBTSHRALDH1A1
SCHEMBL18634056 0.76 THRB (0.36) THRBTSHRALDH1A1
SCHEMBL10181493 0.75 THRB (0.40) THRBTSHRALDH1A1
SCHEMBL18400951 0.75 THRB (0.35) THRBTSHRALDH1A1
SCHEMBL11296267 0.72 THRB (0.40) THRBTSHRALDH1A1
SCHEMBL19718945 0.70 ALDH1A1 (0.43) THRBTSHRALDH1A1
SCHEMBL18400941 0.70 ALDH1A1 (0.43) THRBTSHRALDH1A1
SCHEMBL18634057 0.70 THRB (0.36) 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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