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 | |
|---|---|---|---|---|
| SCHEMBL239012 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL905740 | 0.91 | — | — | |
| Bromide SCHEMBL1672847 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL15916954 | 0.87 | — | — | |
| Bromide SCHEMBL5498077 | 0.87 | KDM4E (0.40) | — | |
| SCHEMBL1978899 | 0.76 | — | — | |
| Water SCHEMBL10860998 | 0.76 | — | — | |
| Phosphoric Acid SCHEMBL4080901 | 0.73 | SLC34A1 (0.44) | — | |
| Phosphoric Acid SCHEMBL9111653 | 0.73 | BBOX1 (0.34) | — | |
| SCHEMBL875481 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2471872-A1 | LIGHT-DIFFUSING RESIN COMPOSITION AND LIGHT-DIFFUSING MOLDED BODY | Takemoto Yushi Kabushiki Kaisha (JP) | 2012-07-04 | — | — | EP | disclosed |
| US-7189488-B2 | Polyimide precursor, manufacturing method thereof, and resin composition using polyimide precursor | KANEKA CORPORATION (JP) | 2007-03-13 | — | — | US | disclosed |
| US-20030149142-A1 | Polyimide precursor, manufacturing method thereof, and resin composition using polyimide precursor | KANEKA CORPORATION | 2003-08-07 | — | — | US | disclosed |
| EP-0430477-A1 | Positive resist composition | NIPPON ZEON CO., LTD. (JP) | 1991-06-05 | — | — | EP | disclosed |
| EP-0421667-A1 | Positive resist composition | NIPPON ZEON CO., LTD. (JP) | 1991-04-10 | — | — | EP | disclosed |