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 SCHEMBL11668655 | 0.87 | — | — | |
| Water SCHEMBL1091537 | 0.87 | — | — | |
| Water SCHEMBL27287895 | 0.75 | — | — | |
| Water SCHEMBL20165005 | 0.75 | — | — | |
| Water SCHEMBL28403437 | 0.75 | — | — | |
| Water SCHEMBL29170892 | 0.75 | — | — | |
| Water SCHEMBL28902122 | 0.75 | — | — | |
| Water SCHEMBL22658896 | 0.75 | — | — | |
| Water SCHEMBL29508944 | 0.71 | — | — | |
| SCHEMBL29353741 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7993766-B2 | Perpendicular magnetic recording medium and method for fabricating the same | CHING-RAY CHANG (TW) | 2011-08-09 | — | — | US | disclosed |
| US-20090162702-A1 | PERPENDICULAR MAGNETIC RECORDING MEDIUM AND METHOD FOR FABRICATING THE SAME | Chang, Ching-Ray (TW) | 2009-06-25 | — | — | US | disclosed |