SCHEMBL25385183

SCHEMBL25385183

C=CC(=O)OC(C(F)(F)C(C)(C)F)C(F)(F)C(C)(C)F

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL15295498 0.83 TSHR (0.33) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL25385175 0.80 TSHR (0.31) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL26362999 0.80 TSHR (0.35) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL62949 0.79 TSHR (0.35) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL6732896 0.79 TSHR (0.40) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL14371723 0.77 TSHR (0.31) TSHR
SCHEMBL16409377 0.76 TSHR (0.31) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL5271789 0.74 TSHR (0.31) TSHR
SCHEMBL27873908 0.74 TSHR (0.38) TSHR
SCHEMBL1262753 0.72 TSHR (0.39) TSHRALDH1A1TP53CYP3A4MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023160953-A1 LABORATORY CONSUMABLE ARTICLE WITH A WATER- AND/OR OIL-REPELLENT COATING AND METHOD FOR PRODUCING SAID ARTICLE EPPENDORF SE (DE) 2023-08-31 WO claimed
WO-2023160953-A1 LABORATORY CONSUMABLE ARTICLE WITH A WATER- AND/OR OIL-REPELLENT COATING AND METHOD FOR PRODUCING SAID ARTICLE EPPENDORF SE (DE) 2023-08-31 WO disclosed