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 SCHEMBL18395883 | 1.00 | — | — | |
| Water SCHEMBL26118228 | 1.00 | — | — | |
| Water SCHEMBL19162 | 1.00 | — | — | |
| Water SCHEMBL7511618 | 0.82 | — | — | |
| Water SCHEMBL3388266 | 0.82 | — | — | |
| Water SCHEMBL9777459 | 0.82 | — | — | |
| Water SCHEMBL344960 | 0.82 | — | — | |
| Water SCHEMBL11249338 | 0.82 | — | — | |
| Water SCHEMBL21724127 | 0.82 | — | — | |
| Water SCHEMBL5576086 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7968614-B2 | Macromer composition including light activated initiator | SURMODICS, INC. (US) | 2011-06-28 | — | — | US | disclosed |
| EP-1893162-A2 | MACROMER COMPOSITION INCLUDING LIGHT ACTIVATED INITIATOR | SurModics, Inc. (US) | 2008-03-05 | — | — | EP | disclosed |
| WO-2006138542-A2 | MACROMER COMPOSITION INCLUDING LIGHT ACTIVATED INITIATOR | SURMODICS, INC. (US) | 2006-12-28 | — | — | WO | disclosed |
| US-20060287410-A1 | Macromer composition including light activated initiator | SURMODICS, INC. | 2006-12-21 | — | — | US | disclosed |