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 SCHEMBL838881 | 0.82 | — | — | |
| Water SCHEMBL73784 | 0.82 | — | — | |
| Water SCHEMBL21276 | 0.82 | — | — | |
| Water SCHEMBL8504267 | 0.82 | — | — | |
| SCHEMBL1138245 | 0.67 | — | — | |
| Water SCHEMBL19717768 | 0.67 | — | — | |
| Water SCHEMBL2415636 | 0.67 | — | — | |
| Water SCHEMBL9791341 | 0.67 | — | — | |
| Water SCHEMBL9315743 | 0.67 | — | — | |
| Fluoride Ion SCHEMBL11052348 | 0.67 | — | — |
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-20110094969-A1 | REMOVAL OF ARSENIC FROM DRINKING AND PROCESS WATER | TREIBACHER INDUSTRIE AG (AT) | 2011-04-28 | — | — | US | disclosed |
| US-20090101588-A1 | Removal of Arsenic from Drinking and Process Water | TREIBACHER INDUSTRIE AG (AT) | 2009-04-23 | — | — | US | disclosed |
| US-7445718-B2 | Removal of arsenic from drinking and process water | THE BOARD OF REGENTS OF THE NEVADA SYSTEMS OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, RENO (US) | 2008-11-04 | — | — | US | disclosed |
| US-20060086670-A1 | Removal of arsenic from drinking and process water | EP MINERALS, LLC | 2006-04-27 | — | — | US | disclosed |
| WO-2003086564-A2 | REMOVAL OF ARSENIC FROM DRINKING AND PROCESS WATER | THE BOARD OF REGENTS OF THE UNIVERSITY AND COMMUNITY COLLEGE SYSTEM OF NEVADA ON BEHALF OF THE UNIVERSITY OF NEVADA, RENO (US) | 2003-10-23 | — | — | WO | disclosed |