Known targets — ChEMBL curated mechanism
GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ
The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL35845 | 0.87 | — | — | |
| SCHEMBL728647 | 0.87 | — | — | |
| Water SCHEMBL23234061 | 0.87 | — | — | |
| Water SCHEMBL10659097 | 0.75 | — | — | |
| Water SCHEMBL8519957 | 0.75 | — | — | |
| Water SCHEMBL3224324 | 0.75 | — | — | |
| Water SCHEMBL23234055 | 0.75 | — | — | |
| Water SCHEMBL10712345 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL8029833 | 0.75 | — | — | |
| SCHEMBL2480 | 0.71 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2132141-B1 | NON-CHROMATE CORROSION INHIBITOR FORMULAS BASED ON ZIRCONIUM VANADIUM OXIDE/HYDROXIDE | SHEPHERD COLOR CO (US) | 2017-02-22 | — | — | EP | claimed |
| US-8137646-B2 | Non-chromate corrosion inhibitor formulas based on zirconium vanadium oxide compositions | THE SHEPHERD COLOR COMPANY (US) | 2012-03-20 | — | — | US | claimed |
| EP-2132141-A2 | NON-CHROMATE CORROSION INHIBITOR FORMULAS BASED ON ZIRCONIUM VANADIUM | The Shepherd Color Company (US) | 2009-12-16 | — | — | EP | claimed |
| US-20090092839-A1 | NON-CHROMATE CORROSION INHIBITOR FORMULAS BASED ON ZIRCONIUM VANADIUM OXIDE COMPOSITIONS | THE SHEPHERD COLOR COMPANY (US) | 2009-04-09 | — | — | US | claimed |
| WO-2008118950-A2 | NON-CHROMATE CORROSION INHIBITOR FORMULAS BASED ON ZIRCONIUM VANADIUM | THE SHEPHERD COLOR COMPANY (US) | 2008-10-02 | — | — | WO | claimed |
| EP-2132141-B1 | NON-CHROMATE CORROSION INHIBITOR FORMULAS BASED ON ZIRCONIUM VANADIUM OXIDE/HYDROXIDE | SHEPHERD COLOR CO (US) | 2017-02-22 | — | — | EP | disclosed |