⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2161223 | 0.83 | NOS3 (0.51) | — | |
| SCHEMBL2161551 | 0.79 | NOS3 (0.57) | — | |
| SCHEMBL1690543 | 0.79 | — | — | |
| SCHEMBL7755601 | 0.74 | NOS3 (0.44) | — | |
| Nitric Acid SCHEMBL28885455 | 0.73 | GRIN2D (0.39) | — | |
| SCHEMBL7571471 | 0.72 | NOS3 (0.42) | — | |
| SCHEMBL20537091 | 0.71 | — | — | |
| SCHEMBL6744086 | 0.71 | TSHR (0.30) | — | |
| Ammonia Solution, Strong SCHEMBL8667534 | 0.70 | TSHR (0.33) | — | |
| SCHEMBL3812521 | 0.70 | ALDH1A1 (0.38) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-1633905-B1 | COATING OF METAL SURFACES WITH PHOSPHATING SOLUTIONS CONTAINING HYDROGEN PEROXIDE AND NITRO-GUANIDIN | CHEMETALL GMBH (DE) | 2007-09-12 | — | — | EP | 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 |
| EP-1633905-A1 | 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) | 2006-03-15 | — | — | EP | disclosed |
| WO-2004104266-A1 | 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) | 2004-12-02 | — | — | WO | disclosed |