SCHEMBL18758048

SCHEMBL18758048

C=C(C)C(=O)OCCC1CC2CC1C(O)(F)C2

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.36
▸ TSHR P16473 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 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
SCHEMBL22722426 0.86 ALDH1A1 (0.42) THRBTSHRALDH1A1
SCHEMBL18457103 0.86 ALDH1A1 (0.42) THRBTSHRALDH1A1
SCHEMBL18634199 0.84 THRB (0.33) THRBTSHRALDH1A1
SCHEMBL21599234 0.76 THRB (0.36) THRBTSHRALDH1A1CA1CA2
SCHEMBL19246077 0.76 THRB (0.36) THRBTSHRALDH1A1CA1CA2
SCHEMBL18457108 0.75 THRB (0.33) THRBTSHRALDH1A1
SCHEMBL18456062 0.73 ALDH1A1 (0.34) THRBTSHRALDH1A1
SCHEMBL11296267 0.71 THRB (0.40) THRBTSHRALDH1A1
SCHEMBL18457094 0.70 ALDH1A1 (0.39) TSHRALDH1A1
SCHEMBL18400946 0.69 THRB (0.34) 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-20170108774-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-04-20 — — US disclosed
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