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 SCHEMBL20556993 | 0.87 | — | — | |
| Water SCHEMBL20557282 | 0.87 | — | — | |
| Water SCHEMBL20556955 | 0.78 | — | — | |
| Water SCHEMBL22722943 | 0.67 | — | — | |
| Water SCHEMBL3690084 | 0.67 | — | — | |
| Water SCHEMBL25216927 | 0.67 | — | — | |
| Water SCHEMBL21224255 | 0.67 | — | — | |
| Water SCHEMBL5828606 | 0.67 | — | — | |
| Water SCHEMBL21838570 | 0.67 | — | — | |
| Water SCHEMBL2390298 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019151645-A1 | ADHESIVE FILM FOR SEMICONDUCTOR | 주식회사 엘지화학 | 2019-08-08 | — | — | WO | disclosed |
| CN-103794441-A | Plasma display screen medium protection film and manufacturing method thereof, and plasma display screen | SICHUAN COC DISPLAY DEVICES CO | 2014-05-14 | — | — | CN | disclosed |
| EP-1190988-B1 | Bismuth-containing laser markable compositions and methods of making and using same | FERRO GMBH (DE) | 2008-09-10 | — | — | EP | disclosed |
| US-6680121-B2 | MIXED OXIDE INORGANIC PIGMENTS DISPERSED IN A SUBSTRATE WHICH IS IRRADIATED BY A LASER TO PROVIDE A CONTRASTING MARK | DMC2 DEGUSSA METALS CATALYSTS CERDEC AG (DE) | 2004-01-20 | — | — | US | disclosed |
| US-20030108723-A1 | Bismuth-containing laser markable compositions and methods of making and using same | FERRO GMBH (DE) | 2003-06-12 | — | — | US | disclosed |
| US-6503316-B1 | Additive, pigment or colorant materials which may be used for laser marking. The materials comprise oxides of bismuth and at least one additional metal. Preferred laser-markable bismuth-containing oxide compounds are BIxMyOz and radiation | DMC2 DEGUSSA METALS CATALYSTS CERDEC AG (DE) | 2003-01-07 | — | — | US | disclosed |
| EP-1190988-A2 | Bismuth-containing laser markable compositions and methods of making and using same | dmc2 Degussa Metals Catalysts Cerdec AG (DE) | 2002-03-27 | — | — | EP | disclosed |