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 SCHEMBL27642338 | 0.87 | — | — | |
| Water SCHEMBL31264255 | 0.82 | — | — | |
| Water SCHEMBL8769663 | 0.67 | — | — | |
| Water SCHEMBL28664626 | 0.67 | — | — | |
| Water SCHEMBL28585344 | 0.67 | — | — | |
| Water SCHEMBL23069278 | 0.67 | — | — | |
| Water SCHEMBL28772687 | 0.67 | — | — | |
| Water SCHEMBL28993077 | 0.67 | — | — | |
| Water SCHEMBL5828606 | 0.67 | — | — | |
| Water SCHEMBL28555683 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106676275-B | Extraction vanadium method based on discarded slag and acidic and alkaline wastewater | 攀枝花浩恒钒钛科技有限公司 | 2018-10-26 | — | — | CN | disclosed |
| CN-108531718-A | A method of producing chrome green using tailings in vanadium extraction | 东北大学 | 2018-09-14 | — | — | CN | disclosed |
| CN-107469612-A | The method that fume treatment is carried out using fluidized-bed reactor | 中晶蓝实业有限公司 | 2017-12-15 | — | — | CN | disclosed |
| CN-107441931-A | Desulfurizing agent and its preparation method and application | 中晶蓝实业有限公司 | 2017-12-08 | — | — | CN | disclosed |
| CN-106676275-A | Vanadium extraction method based on waste steel slag and acid-base property waste water | 攀枝花浩恒钒钛科技有限公司 | 2017-05-17 | — | — | CN | disclosed |