SCHEMBL6831492

SCHEMBL6831492

C=CCN(N=O)C(=N)N[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL1168085 0.77 ALDH1A1 (0.59) ALDH1A1TP53
SCHEMBL5551260 0.75 ALDH1A1 (0.56) ALDH1A1TP53
SCHEMBL25859793 0.75 ALDH1A1 (0.51) ALDH1A1TP53
SCHEMBL4362429 0.71 ALDH1A1 (0.51) ALDH1A1TP53
SCHEMBL3667336 0.70 ALDH1A1 (0.50) ALDH1A1TP53
SCHEMBL11155130 0.69 ALDH1A1 (0.45) ALDH1A1TP53
SCHEMBL5847098 0.69 ALDH1A1 (0.62) ALDH1A1TP53
SCHEMBL6836619 0.68
SCHEMBL51610 0.67 ALDH1A1 (1.00) ALDH1A1TP53
SCHEMBL5527758 0.67 ALDH1A1 (1.00) ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0210446-A2 Nitro- and cyanoguanidines as selective preemergence herbicides and plant defoliants AMERICAN CYANAMID COMPANY (US) 1987-02-04 EP claimed
US-9249088-B2 Continuous production and reaction of a diazo compound DPX HOLDINGS B.V. (NL) 2016-02-02 US disclosed
EP-2635548-B1 CONTINUOUS PRODUCTION AND REACTION OF A DIAZO COMPOUND DPX HOLDINGS BV (NL) 2014-12-17 EP disclosed
US-20140100360-A1 CONTINUOUS PRODUCTION AND REACTION OF A DIAZO COMPOUND DSM FINE CHEMICALS AUSTRIA NFG. GMBH & CO KG (AT) 2014-04-10 US disclosed
US-6680408-B2 REACTING S-METHYL NITROISOTHIOUREA WITH ALPHA-ETHYLBENZYLAMINE IN THE PRESENCE OF WATER AND ETHANOL MIXTURES TO FORM 1-(ALPHA-ETHYLBENZYL)-3-NITROGUANIDINE, USED AS PREEMERGENCE HERBICIDES BAYER CROPSCIENCE LP 2004-01-20 US disclosed
US-20030236168-A1 PROCESSES FOR THE PREPARATION OF ALPHA-SUBSTITUTED BENZYLNITROGUANIDINES BAYER CORPORATION 2003-12-25 US disclosed
US-5175365-A Preemergence herbicide 1- alpha-ethylbenzyl!-3-nitroguanidine AMERICAN CYANAMID COMPANY (US) 1992-12-29 US disclosed
US-4995903-A Alkyl-, Alkenyl- and alkynylnitroguanidines as cytokinin plant growth regulants AMERICAN CYANAMID COMPANY (US) 1991-02-26 US disclosed
US-4944788-A Substituted nitro and cyanoguanidines and their use for increasing crop yields AMERICAN CYANAMID COMPANY (US) 1990-07-31 US disclosed
US-4822408-A Alkyl-, alkenyl- and alkynylnitroguanidines as cytokinin plant growth regulants AMERICAN CYANAMID COMPANY (US) 1989-04-18 US disclosed
US-4804780-A PLANT GROWTH REGULATORS AMERICAN CYANAMID COMPANY (US) 1989-02-14 US disclosed
US-4742006-A SELECTIVE KERNFORSCHUNGSANLAGE JULICH GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-05-03 US disclosed
EP-0113070-B1 THE USE OF SUBSTITUTED NITRO AND CYANOGUANIDINES FOR INCREASING CROP YIELD AMERICAN CYANAMID COMPANY (US) 1988-01-13 EP disclosed
US-4677226-A Alkyl-, alkenyl- and alkynylnitroguanidines as cytokinin plant growth regulants AMERICAN CYANAMID COMPANY (US) 1987-06-30 US disclosed
EP-0212518-A2 Fermentation process for the production or enrichment of fructose with respect to glucose, and suitable Zymomonas mobilis mutants therefor FORSCHUNGSZENTRUM JÜLICH GMBH (DE) 1987-03-04 EP disclosed
EP-0210446-A2 Nitro- and cyanoguanidines as selective preemergence herbicides and plant defoliants AMERICAN CYANAMID COMPANY (US) 1987-02-04 EP disclosed
US-4639268-A Nitro- and cyanoguanidines as selective preemergence herbicides and plant defoliants AMERICAN CYANAMID COMPANY (US) 1987-01-27 US disclosed
EP-0189579-A1 Substituted nitro and cyanoguanidines and their use for increasing crop yield AMERICAN CYANAMID COMPANY (US) 1986-08-06 EP disclosed
US-4594092-A Cytokinin-like response AMERICAN CYANAMID COMPANY (US) 1986-06-10 US disclosed
EP-0113070-A1 The use of substituted nitro and cyanoguanidines for increasing crop yield AMERICAN CYANAMID COMPANY (US) 1984-07-11 EP 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-20030236168-A1 PROCESSES FOR THE PREPARATION OF ALPHA-SUBSTITUTED BENZYLNITROGUANIDINES SRM, BPGM, GMPS ALDH1A1 952/4885TP53 2151/4885

“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.