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 | |
|---|---|---|---|---|
| SCHEMBL215435 | 0.84 | — | — | |
| Water SCHEMBL226314 | 0.84 | — | — | |
| Water SCHEMBL27626554 | 0.77 | — | — | |
| Water SCHEMBL4434752 | 0.77 | — | — | |
| Water SCHEMBL30444620 | 0.76 | — | — | |
| Water SCHEMBL62334 | 0.76 | — | — | |
| SCHEMBL28418200 | 0.71 | — | — | |
| SCHEMBL9515529 | 0.71 | — | — | |
| SCHEMBL9514638 | 0.71 | — | — | |
| SCHEMBL29280585 | 0.71 | — | — |
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-102046634-B | Production method for camptothecin derivative | MERCIAN CORP | 2013-04-24 | — | — | CN | claimed |
| CN-102046634-A | Production method for camptothecin derivative | MERCIAN CORP | 2011-05-04 | — | — | CN | claimed |
| CN-102046634-B | Production method for camptothecin derivative | MERCIAN CORP | 2013-04-24 | — | — | CN | disclosed |
| CN-102046634-A | Production method for camptothecin derivative | MERCIAN CORP | 2011-05-04 | — | — | CN | disclosed |
| CN-101333467-A | Nano-metal and nano-metal oxide particles for more complete combustion of fuels | JAMES KENNETH SANDERS (US) | 2008-12-31 | — | — | CN | disclosed |