SCHEMBL28890382

SCHEMBL28890382

O=C(OC(=O)C(F)(F)F)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.32
▸ CES2 O00748 1/20 0.32
▸ CES1 P23141 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ HTT P42858 1/20 0.30
▸ MAPT P10636 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
SCHEMBL776289 0.80 CES2 (0.40) RECQLCES2CES1TSHRMAPK1
SCHEMBL694210 0.71 CES2 (0.34) RECQLCES2CES1TSHRMAPK1
SCHEMBL27623481 0.71 CA2 (0.35) CA2
SCHEMBL52 0.71 CA2 (0.35) CA2
SCHEMBL28093052 0.70 CES1 (0.38) CES2CES1TSHRMAPK1CA1
SCHEMBL3979030 0.70 ALDH1A1 (0.45) MAPT
SCHEMBL247169 0.69 CES2 (0.40) RECQLCES2CES1TSHRMAPK1
SCHEMBL1029288 0.69 CES2 (0.40) RECQLCES2CES1TSHRMAPK1
SCHEMBL6888914 0.69 TSHR (0.45) RECQLCES2CES1TSHRMAPK1
SCHEMBL3945654 0.68 CA2 (0.33) CA2

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
CN-115350111-A Lignin-based stimulus-responsive long-acting broad-spectrum ultraviolet-resistant protective material and preparation and application thereof 华南理工大学 2022-11-18 — — CN disclosed
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