SCHEMBL1046091

SCHEMBL1046091

C=CCN(CC=C)C(N)=[N+](CC=C)CC=C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 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
SCHEMBL277229 0.78 ALDH1A1 (0.38) ALDH1A1
Bromide SCHEMBL798684 0.76 ALDH1A1 (0.37) ALDH1A1
Hydrochloric Acid SCHEMBL497000 0.76 ALDH1A1 (0.37) ALDH1A1
Iodide SCHEMBL27688320 0.76 ALDH1A1 (0.37) ALDH1A1
Water SCHEMBL4693457 0.76 ALDH1A1 (0.37) ALDH1A1
SCHEMBL4617310 0.74 ALDH1A1 (0.35) ALDH1A1
Hydrochloric Acid SCHEMBL7938586 0.73 ALDH1A1 (0.34) ALDH1A1
SCHEMBL7048307 0.71 ALDH1A1 (0.33) ALDH1A1
SCHEMBL10972334 0.69 ALDH1A1 (0.42) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1140010 0.69 GAA (0.34) ALDH1A1

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
CN-113260440-B Process for the selective recovery of transition metals from organic residues 艾尼股份公司 2023-07-14 CN claimed
CN-113260440-A Process for the selective recovery of transition metals from organic residues 艾尼股份公司 2021-08-13 CN claimed
CN-113260440-B Process for the selective recovery of transition metals from organic residues 艾尼股份公司 2023-07-14 CN disclosed
CN-113260440-A Process for the selective recovery of transition metals from organic residues 艾尼股份公司 2021-08-13 CN disclosed
EP-2640686-B1 NITROUS OXIDE-CONTAINING IONIC LIQUIDS AS CHEMICAL REAGENTS INVISTA TECH SARL (CH) 2014-12-24 EP disclosed
US-20130299738-A1 NITROUS OXIDE-CONTAINING IONIC LIQUIDS AS CHEMICAL REAGENTS INVISTA NORTH AMERICA S.A.R.L. (US) 2013-11-14 US disclosed
EP-2640686-A2 NITROUS OXIDE-CONTAINING IONIC LIQUIDS AS CHEMICAL REAGENTS Invista Technologies S.A R.L. (CH) 2013-09-25 EP disclosed
EP-2456807-B1 SYNTHESIS METHOD USING IONIC LIQUIDS INVISTA TECH SARL (CH) 2013-07-17 EP disclosed
EP-2456807-A2 SYNTHESIS METHOD USING IONIC LIQUIDS Invista Technologies S.A R.L. (CH) 2012-05-30 EP disclosed
WO-2012066296-A2 NITROUS OXIDE-CONTAINING IONIC LIQUIDS AS CHEMICAL REAGENTS INVISTA TECHNOLOGIES S.A.R. L. (CH) 2012-05-24 WO disclosed
WO-2011010116-A2 SYNTHESIS METHOD USING IONIC LIQUIDS INVISTA TECHNOLOGIES S.À.R.L. (CH) 2011-01-27 WO disclosed
US-7709656-B2 Ionic liquids containing guanidinium cations MERCK PATENT GMBH (DE) 2010-05-04 US disclosed
US-20070265453-A1 Ionic Liquids Containing Guanidinium Cations MERCK PATENT GMBH (DE) 2007-11-15 US disclosed
EP-1366043-B1 2-HETEROARYL-3,4-DIHYDRO-2H-PYRROLE DERIVATIVES AND THE USE THEREOF AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2007-06-20 EP disclosed
US-7186722-B2 2-heteroaryl-3,4-dihydro-2h-pyrrole derivatives and the use thereof as pesticides BAYER CROPSCIENCE AG (DE) 2007-03-06 US disclosed
US-20040116477-A1 2-Heteroaryl-3,4-dihydro-2h-pyrrole derivatives and the use thereof as pesticides BAYER CROPSCIENCE AG (DE) 2004-06-17 US disclosed
EP-1366043-A1 2-HETEROARYL-3,4-DIHYDRO-2H-PYRROLE DERIVATIVES AND THE USE THEREOF AS PESTICIDES Bayer CropScience AG (DE) 2003-12-03 EP disclosed
WO-2002064588-A1 2-HETEROARYL-3,4-DIHYDRO-2H-PYRROLE DERIVATIVES AND THE USE THEREOF AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2002-08-22 WO disclosed
US-4595675-A Hypotensive agents HOECHST AKTIENGESELLSCHAFT (DE) 1986-06-17 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-20070265453-A1 Ionic Liquids Containing Guanidinium Cations GMPS, GUCY1A2, GUCY1B2 ALDH1A1 3711/4885GRIN2D 863/4885GRIN3B 275/4885

“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.