SCHEMBL19807192

SCHEMBL19807192

C=CC(=O)OCC1CC2C[C@H]1CC2(O)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HIF1A Q16665 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
SCHEMBL18401066 1.00 TSHR (0.33) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL23963205 0.87 TSHR (0.37) TSHRALDH1A1TP53CYP3A4HIF1A
SCHEMBL23963208 0.82 TSHR (0.35) TSHRALDH1A1TP53CYP3A4HIF1A
SCHEMBL18457099 0.76 ALDH1A1 (0.33) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL20215493 0.75 — —
SCHEMBL23963211 0.75 TSHR (0.33) TSHRALDH1A1TP53CYP3A4HIF1A
SCHEMBL21281785 0.73 TSHR (0.32) TSHR
SCHEMBL18400944 0.73 TSHR (0.32) TSHR
SCHEMBL18758018 0.73 TSHR (0.32) TSHR
SCHEMBL23974058 0.70 — —

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-20180024435-A1 RESIST COMPOSITION AND PATTERNING PROCESS USING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-01-25 — — US disclosed
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