SCHEMBL3132072

SCHEMBL3132072

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

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
TP53 P04637 3/20 0.35
HIF1A Q16665 3/20 0.35
CYP3A4 P08684 2/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 5/20 0.32
HSD17B10 Q99714 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
SCHEMBL28585678 0.93 ALDH1A1 (0.33) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL31544632 0.90 ALDH1A1 (0.32) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL27697751 0.89 ALDH1A1 (0.33) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL31414416 0.89 ALDH1A1 (0.33) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL9301632 0.86 TSHR (0.39) ALDH1A1TP53HIF1ACYP3A4MAPK1
Methacrylic Acid SCHEMBL28101445 0.84
SCHEMBL63735 0.84 TSHR (0.33) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL2158902 0.83 ALDH1A1 (0.33) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL9302435 0.81 TSHR (0.46) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL28372269 0.81 TSHR (0.32) ALDH1A1TP53HIF1ACYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116404159-A Adhesive, and preparation method and application thereof 上海华谊三爱富新材料有限公司 2023-07-07 CN claimed
CN-116404159-A Adhesive, and preparation method and application thereof 上海华谊三爱富新材料有限公司 2023-07-07 CN disclosed
US-7687991-B2 Organic electroluminescence device CANON KABUSHIKI KAISHA (JP) 2010-03-30 US disclosed
US-20080012473-A1 ORGANIC ELECTROLUMINESCENCE DEVICE CANON KABUSHIKI KAISHA (JP) 2008-01-17 US disclosed
US-5312710-A Electrophotographic toner and process for producing the same FUJI XEROX CO., LTD. (JP) 1994-05-17 US disclosed