SCHEMBL2579302

SCHEMBL2579302

N#CCCOCC(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL2977627 0.91
SCHEMBL28595432 0.81 ALDH1A1 (0.30) ALDH1A1TDP1
Benzonitrile SCHEMBL2994996 0.80 TSHR (0.45)
SCHEMBL1344130 0.79 ALDH1A1 (0.37) ALDH1A1TDP1
SCHEMBL29068794 0.78 ALDH1A1 (0.32) ALDH1A1TDP1
SCHEMBL31664351 0.78 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL13813150 0.77 ALDH1A1 (0.35) ALDH1A1TDP1
SCHEMBL19599685 0.76
SCHEMBL22361844 0.75 HTT (0.34)
SCHEMBL25456597 0.75 ALDH1A1 (0.33) ALDH1A1TDP1

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116470080-A Lithium-fluorocarbon battery electrolyte with high specific capacity and high rate performance 湖南科技大学 2023-07-21 CN claimed
CN-116425656-A Preparation method of trifluoro ethoxy propionitrile 联化科技(德州)有限公司 2023-07-14 CN claimed
CN-113429259-B Fluorine-containing compound and application thereof 中国科学院上海有机化学研究所 2023-03-24 CN claimed
CN-114296285-A High-performance electrolyte for Prussian blue-based electrochromic device 烟台大学 2022-04-08 CN claimed
CN-113429259-A Fluorine-containing compound and application thereof 中国科学院上海有机化学研究所 2021-09-24 CN claimed
US-20170133716-A1 BATTERY CELL AND BATTERY Lithium Energy and Power GmbH & Co. KG (DE) 2017-05-11 US claimed
EP-3166169-A1 BATTERY CELL AND BATTERY Lithium Energy and Power GmbH & Co. KG (DE) 2017-05-10 EP claimed
WO-2016168496-A1 POTASSIUM ION ELECTRIC ENERGY STORAGE DEVICES OREGON STATE UNIVERSITY (US) 2016-10-20 WO claimed
EP-2114394-B1 PLATINUM ANALOGS WITH BIS-NITRILE-CONTAINING LIGANDS BIONUMERIK PHARMACEUTICALS INC (US) 2012-08-15 EP claimed
US-7777060-B2 Platinum analogs with bis-nitrile-containing ligands BIONUMERIK PHARMACEUTICALS, INC. (US) 2010-08-17 US claimed
EP-2114394-A1 PLATINUM ANALOGS WITH BIS-NITRILE-CONTAINING LIGANDS BIONUMERIK PHARMACEUTICALS, INC. (US) 2009-11-11 EP claimed
WO-2008100301-A1 PLATINUM ANALOGS WITH BIS-NITRILE-CONTAINING LIGANDS BIONUMERIK PHARMACEUTICALS, INC. (US) 2008-08-21 WO claimed
US-20080194680-A1 Platinum analogs with bis-nitrile-containing ligands BIONUMERIK PHARMACEUTICALS, INC. 2008-08-14 US claimed
CN-117903001-A Partial fluoro-nitrile electrolyte material 湖南科技大学 2024-04-19 CN disclosed
CN-116470080-A Lithium-fluorocarbon battery electrolyte with high specific capacity and high rate performance 湖南科技大学 2023-07-21 CN disclosed
CN-116425656-A Preparation method of trifluoro ethoxy propionitrile 联化科技(德州)有限公司 2023-07-14 CN disclosed
WO-2009050204-A1 QUINOLINE DERIVATIVES USED TO TREAT INFLAMMATORY AND ALLERGIC DISEASES GLAXO GROUP LIMITED (GB) 2009-04-23 WO disclosed
WO-2008100301-A1 PLATINUM ANALOGS WITH BIS-NITRILE-CONTAINING LIGANDS BIONUMERIK PHARMACEUTICALS, INC. (US) 2008-08-21 WO disclosed
US-20080194680-A1 Platinum analogs with bis-nitrile-containing ligands BIONUMERIK PHARMACEUTICALS, INC. 2008-08-14 US disclosed
US-20080194680-A1 Platinum analogs with bis-nitrile-containing ligands BIONUMERIK PHARMACEUTICALS, INC. 2008-08-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080194680-A1 Platinum analogs with bis-nitrile-containing ligands PCNA, LIG4, TOP2B ALDH1A1 2084/4885TDP1 1028/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.