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 SCHEMBL4674371 | 0.82 | — | — | |
| Water SCHEMBL27528 | 0.82 | — | — | |
| Water SCHEMBL3181558 | 0.67 | — | — | |
| Water SCHEMBL4164215 | 0.67 | — | — | |
| Water SCHEMBL4453818 | 0.67 | — | — | |
| Water SCHEMBL23002030 | 0.67 | — | — | |
| Water SCHEMBL609928 | 0.67 | — | — | |
| Water SCHEMBL2687272 | 0.67 | — | — | |
| Water SCHEMBL6700008 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL17797766 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10835461-B2 | Bio-active material composite, preparing method thereof and cosmetic composition containing the same | Kim, Bae Yong (KR) | 2020-11-17 | — | — | US | disclosed |
| US-20180369084-A1 | BIO-ACTIVE MATERIAL COMPOSITE, PREPARING METHOD THEREOF AND COSMETIC COMPOSITION CONTAINING THE SAME | KIM, BAE YONG (KR) | 2018-12-27 | — | — | US | disclosed |
| EP-3384893-A1 | BIO-ACTIVE MATERIAL COMPOSITE, METHOD FOR PREPARING SAME AND COSMETIC COMPOSITION CONTAINING SAME | Kim, Bae Yong (KR) | 2018-10-10 | — | — | EP | disclosed |