SCHEMBL12469758

SCHEMBL12469758

CN1C=CN(CCC#N)C1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL27921700 0.88 ALDH1A1 (0.31) ALDH1A1PKM
Nitric Acid SCHEMBL27921689 0.86 ALDH1A1 (0.31) ALDH1A1PKM
Hydrochloric Acid SCHEMBL2229191 0.86 MAPT (0.34) ALDH1A1PKM
SCHEMBL28176782 0.86 MAPT (0.42) ALDH1A1PKM
Bromide SCHEMBL9547368 0.83 MAPT (0.40)
SCHEMBL28204342 0.80 MAPT (0.31)
SCHEMBL28179977 0.78 ALDH1A1 (0.39) ALDH1A1PKMPOLBSMN1; SMN2
Bromide SCHEMBL3854365 0.78
SCHEMBL28841371 0.78 ALDH1A1 (0.39) ALDH1A1PKMPOLBSMN1; SMN2
SCHEMBL28608551 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE48165-E1 Alkenyl (perfluoroalkyl) phosphinic acids MERCK PATENT GMBH (DE) 2020-08-18 US disclosed
CN-107074890-B Alkenyl (perfluoroalkyl) phosphinic acids 默克专利股份公司 2019-09-24 CN disclosed
CN-107200787-B A kind of imidazoles alginate ionic liquid and its synthetic method 四川大学 2019-08-13 CN disclosed
US-10160777-B2 Alkenyl(perfluoroalkyl)phosphinic acids MERCK PATENT GMBH (DE) 2018-12-25 US disclosed
EP-3207047-B1 ALKENYL (PERFLUOROALKYL) PHOSPHINIC ACID MERCK PATENT GMBH (DE) 2018-09-12 EP disclosed
CN-107200787-A A kind of imidazoles alginate ionic liquid and its synthetic method 四川大学 2017-09-26 CN disclosed
US-20170240574-A1 ALKENYL (PERFLUOROALKYL) PHOSPHINIC ACIDS MERCK PATENT GMBH (DE) 2017-08-24 US disclosed
EP-3207047-A1 ALKENYL (PERFLUOROALKYL) PHOSPHINIC ACID Merck Patent GmbH (DE) 2017-08-23 EP disclosed
CN-107074890-A Alkenyl (perfluoroalkyl) phosphinic acids 默克专利股份公司 2017-08-18 CN disclosed
WO-2016058668-A1 ALKENYL (PERFLUOROALKYL) PHOSPHINIC ACID MERCK PATENT GMBH (DE) 2016-04-21 WO disclosed
EP-2621939-B1 FUNCTIONALIZED FLUOROALKYL FLUOROPHOSPHATE SALTS MERCK PATENT GMBH (DE) 2015-06-10 EP disclosed
WO-2015049034-A1 PERFLUOROALKYL FLUORO- OR PERFLUOROALKYL CHLOROGERMANATES MERCK PATENT GMBH (DE) 2015-04-09 WO disclosed
WO-2015022048-A1 HEXACYANODIBORATES MERCK PATENT GMBH (DE) 2015-02-19 WO disclosed
US-8846922-B2 Functionalized fluoroalkyl fluorophosphate salts MERCK PATENT GMBH (DE) 2014-09-30 US disclosed
EP-2621939-A1 FUNCTIONALIZED FLUOROALKYL FLUOROPHOSPHATE SALTS Merck Patent GmbH (DE) 2013-08-07 EP disclosed
US-20130197228-A1 FUNCTIONALIZED FLUOROALKYL FLUOROPHOSPHATE SALTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-01 US disclosed
CN-103124736-A Functionalized fluoroalkyl fluorophosphate salts MERCK PATENT GMBH 2013-05-29 CN disclosed
CN-103073500-A Rare earth metal ionic liquid, preparation method and application thereof UNIV SICHUAN 2013-05-01 CN disclosed
WO-2012048772-A1 FUNCTIONALIZED FLUOROALKYL FLUOROPHOSPHATE SALTS MERCK PATENT GMBH (DE) 2012-04-19 WO 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 (3 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-10160777-B2 Alkenyl(perfluoroalkyl)phosphinic acids PHOSPHO1, PFAS, SLCO4C1 ALDH1A1 4088/4885PKM 643/4885POLB 2973/4885
US-20170240574-A1 ALKENYL (PERFLUOROALKYL) PHOSPHINIC ACIDS PHOSPHO1, PFAS, SLCO4C1 ALDH1A1 4088/4885PKM 643/4885POLB 2973/4885
US-20130197228-A1 FUNCTIONALIZED FLUOROALKYL FLUOROPHOSPHATE SALTS INPPL1, INPP5D, PLCB3 ALDH1A1 2122/4885PKM 3517/4885POLB 2402/4885

“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.