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 | |
|---|---|---|---|---|
| SCHEMBL196107 | 0.87 | — | — | |
| Water SCHEMBL35845 | 0.87 | — | — | |
| Water SCHEMBL7139149 | 0.87 | — | — | |
| SCHEMBL7064574 | 0.75 | — | — | |
| Water SCHEMBL8519957 | 0.75 | — | — | |
| SCHEMBL18127936 | 0.75 | — | — | |
| SCHEMBL7139181 | 0.75 | — | — | |
| Water SCHEMBL10659097 | 0.75 | — | — | |
| SCHEMBL5946331 | 0.75 | — | — | |
| Water SCHEMBL10712345 | 0.75 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8569199-B2 | Vanadium-free catalyst for selective catalytic reduction and process for it's preparation | UMICORE AG & CO. KG (DE) | 2013-10-29 | — | — | US | disclosed |
| US-20100034717-A1 | VANADIUM-FREE CATALYST FOR SELECTIVE CATALYTIC REDUCTION AND PROCESS FOR IT'S PREPARATION | UMICORE AG & CO. KG (DE) | 2010-02-11 | — | — | US | disclosed |