⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2485413 | 1.00 | — | — | |
| SCHEMBL8503765 | 0.77 | — | — | |
| SCHEMBL153165 | 0.77 | FFAR3 (0.35) | — | |
| SCHEMBL2931727 | 0.76 | — | — | |
| SCHEMBL701507 | 0.72 | ALDH1A1 (0.39) | — | |
| SCHEMBL11897210 | 0.72 | — | — | |
| SCHEMBL10351294 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL2936003 | 0.69 | CES1 (0.38) | — | |
| SCHEMBL3394426 | 0.66 | — | — | |
| SCHEMBL9928634 | 0.64 | ALDH1A1 (0.36) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1970470-B1 | Chrome(VI)-free black passivates for surfaces containing zinc | ATOTECH DEUTSCHLAND GMBH (DE) | 2011-05-11 | — | — | EP | claimed |
| EP-1970470-A1 | Chrome(VI)-free black passivates for surfaces containing zinc | ATOTECH DEUTSCHLAND GMBH (DE) | 2008-09-17 | — | — | EP | claimed |
| EP-2358922-B1 | CONVERSION LAYERS FOR SURFACES CONTAINING ZINC | ATOTECH DEUTSCHLAND GMBH (DE) | 2016-01-27 | — | — | EP | disclosed |
| EP-2411494-A2 | METHOD AND COMPOSITION FOR CLEANING OBJECTS | Bubbles and Beyond GmbH (DE) | 2012-02-01 | — | — | EP | disclosed |
| EP-1970470-B1 | Chrome(VI)-free black passivates for surfaces containing zinc | ATOTECH DEUTSCHLAND GMBH (DE) | 2011-05-11 | — | — | EP | disclosed |
| WO-2010108639-A2 | METHOD AND COMPOSITION FOR CLEANING OBJECTS | BUBBLES AND BEYOND GMBH (DE) | 2010-09-30 | — | — | WO | disclosed |
| EP-2223995-A2 | Formulas for removing paint layers and diverse dirt coatings on surfaces, method for manufacturing the agent and cleaning method | Bubbles and Beyond GmbH (DE) | 2010-09-01 | — | — | EP | disclosed |
| EP-1970470-A1 | Chrome(VI)-free black passivates for surfaces containing zinc | ATOTECH DEUTSCHLAND GMBH (DE) | 2008-09-17 | — | — | EP | disclosed |