⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9684858 | 0.76 | TDP1 (0.39) | — | |
| SCHEMBL6461409 | 0.74 | — | — | |
| SCHEMBL5492471 | 0.74 | — | — | |
| SCHEMBL27485700 | 0.74 | — | — | |
| SCHEMBL3698668 | 0.74 | — | — | |
| SCHEMBL6471705 | 0.73 | LMNA (0.39) | — | |
| SCHEMBL9375433 | 0.71 | TDP1 (0.35) | — | |
| SCHEMBL476333 | 0.71 | ERN1 (0.39) | — | |
| SCHEMBL27843652 | 0.71 | ERN1 (0.39) | — | |
| SCHEMBL1379603 | 0.71 | TDP1 (0.35) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3966715-A | 1,2,4-TRIAZINE-5-ONES | BAYER AKTIENGESELLSCHAFT (DT) | 1976-06-29 | — | — | US | claimed |
| US-8329013-B2 | Optimized electrocoating of assembled and partly prephosphated components | HENKEL AG & CO. KGAA (DE) | 2012-12-11 | — | — | US | disclosed |
| CN-1826429-B | Method and solution for coating metal surfaces with a phosphating solution containing water peroxide, produced metal object and use of said object | CHEMETALL GMBH | 2012-08-08 | — | — | CN | disclosed |
| US-20110180186-A1 | METHOD AND SOLUTION FOR COATING METALLIC SURFACES WITH A PHOSPHATING SOLUTION CONTAINING HYDROGEN PEROXIDE, METALLIC OBJECT PRODUCED AND USE OF THE OBJECT | NITSCHKE THOMAS | 2011-07-28 | — | — | US | disclosed |
| US-20110062027-A1 | OPTIMIZED ELECTROCOATING OF ASSEMBLED AND PARTLY PREPHOSPHATED COMPONENTS | HENKEL AG & CO. KGAA (DE) | 2011-03-17 | — | — | US | disclosed |
| US-20060278307-A1 | Method and solution for coating metal surfaces with a posphating solution containing water peroxide, produced metal object and use of said object | CHEMETALL GMBH (DE) | 2006-12-14 | — | — | US | disclosed |
| CN-1826429-A | Method and solution for coating metal surfaces with a phosphating solution containing water peroxide, produced metal object and use of said object | CHEMETALL GMBH (DE) | 2006-08-30 | — | — | CN | disclosed |
| EP-0686141-B1 | NEW PROCESS FOR THE NITRATION OF AROMATIC COMPOUNDS IN MILD, NON-CORROSIVE CONDITIONS | INST NACIONAL DE ENGENHARIA E (PT) | 1998-12-09 | — | — | EP | disclosed |
| EP-0686141-A1 | NEW PROCESS FOR THE NITRATION OF AROMATIC COMPOUNDS IN MILD, NON-CORROSIVE CONDITIONS | INSTITUTO NACIONAL DE ENGENHARIA E TECNOLOGIA INDUSTRIAL (PT) | 1995-12-13 | — | — | EP | disclosed |
| WO-1994019310-A1 | NEW PROCESS FOR THE NITRATION OF AROMATIC COMPOUNDS IN MILD, NON-CORROSIVE CONDITIONS | INSTITUTO NACIONAL DE ENGENHARIA E TECNOLOGIA INDUSTRIAL (PT) | 1994-09-01 | — | — | WO | disclosed |
| US-4036632-A | CONTROLLING WEEDS USING 3-METHYLTHIO-4-AMINO-6-BUTYL-1,2,4 TRIAZINE-5-ONE | BAYER AKTIENGESELLSCHAFT (DT) | 1977-07-19 | — | — | US | disclosed |
| US-3966715-A | 1,2,4-TRIAZINE-5-ONES | BAYER AKTIENGESELLSCHAFT (DT) | 1976-06-29 | — | — | US | disclosed |