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 SCHEMBL19717768 | 0.67 | — | — | |
| Water SCHEMBL3690084 | 0.67 | — | — | |
| Water SCHEMBL21224255 | 0.67 | — | — | |
| Water SCHEMBL5828606 | 0.67 | — | — | |
| Water SCHEMBL22722943 | 0.67 | — | — | |
| Water SCHEMBL25216927 | 0.67 | — | — | |
| Water SCHEMBL22581992 | 0.67 | — | — | |
| Water SCHEMBL21838570 | 0.67 | — | — | |
| Water SCHEMBL2390298 | 0.67 | — | — | |
| Water SCHEMBL1960738 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2022772-A1 | Process for converting methane into liquid alkane mixtures | BP OIL INTERNATIONAL LIMITED (GB) | 2009-02-11 | — | — | EP | disclosed |
| EP-1976647-A2 | ENVIRONMENTAL AND THERMAL BARRIER COATING TO PROVIDE PROTECTION IN VARIOUS ENVIRONMENTS | CERAMATEC, INC. (US) | 2008-10-08 | — | — | EP | disclosed |
| US-20080026248-A1 | Environmental and Thermal Barrier Coating to Provide Protection in Various Environments | CERAMATEC, INC. | 2008-01-31 | — | — | US | disclosed |
| WO-2007087423-A2 | ENVIRONMENTAL AND THERMAL BARRIER COATING TO PROVIDE PROTECTION IN VARIOUS ENVIRONMENTS | CERAMATEC, INC. (US) | 2007-08-02 | — | — | WO | disclosed |