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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7750994 | 0.71 | GNAI3 (0.37) | — | |
| Water SCHEMBL2392672 | 0.71 | ALDH1A1 (0.36) | — | |
| SCHEMBL9772737 | 0.70 | MEN1 (0.38) | — | |
| SCHEMBL2267102 | 0.70 | KCNH2 (0.35) | — | |
| SCHEMBL2266931 | 0.70 | KCNH2 (0.35) | — | |
| Hydrochloric Acid SCHEMBL11498725 | 0.69 | GNAI3 (0.32) | — | |
| Hydrochloric Acid SCHEMBL11786483 | 0.68 | CCR5 (0.36) | — | |
| Hydrochloric Acid SCHEMBL9715248 | 0.68 | CCR5 (0.36) | — | |
| Iodide SCHEMBL11780477 | 0.68 | KCNH2 (0.34) | — | |
| SCHEMBL25329312 | 0.61 | GNAO1 (0.53) | — |
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-8024943-B2 | Method of dividing glass into separate pieces with the aid of a cutting liquid and improved cutting liquid for said method | SCHOTT AG (DE) | 2011-09-27 | — | — | US | disclosed |
| US-20060266195-A1 | Method of dividing glass into separate pieces with the aid of a cutting liquid and improved cutting liquid for said method | SCHOTT AG (DE) | 2006-11-30 | — | — | US | disclosed |