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 SCHEMBL6158712 | 0.89 | — | — | |
| Water SCHEMBL6157357 | 0.80 | — | — | |
| Water SCHEMBL6158077 | 0.80 | — | — | |
| Water SCHEMBL6157801 | 0.80 | — | — | |
| Water SCHEMBL25216927 | 0.78 | — | — | |
| SCHEMBL891380 | 0.78 | — | — | |
| Water SCHEMBL3370897 | 0.78 | — | — | |
| Water SCHEMBL1792338 | 0.78 | — | — | |
| Water SCHEMBL7635301 | 0.73 | — | — | |
| Water SCHEMBL20337840 | 0.73 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1566372-B1 | METHOD OF HYDROGENATION REACTION | NEW JAPAN CHEM CO LTD (JP) | 2018-01-10 | — | — | EP | disclosed |
| CN-1290811-C | Liquid plant unsaturated alcohol and production method thereof | NEW JAPAN CHEM CO LTD (JP) | 2006-12-20 | — | — | CN | disclosed |
| EP-1566372-A1 | METHOD OF HYDROGENATION REACTION | NEW JAPAN CHEMICAL CO.,LTD. (JP) | 2005-08-24 | — | — | EP | disclosed |
| CN-1646457-A | Liquid vegetable unsaturated alcohol and process for producing the same | NEW JAPAN CHEM CO LTD (JP) | 2005-07-27 | — | — | CN | disclosed |