Known targets — ChEMBL curated mechanism
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 | |
|---|---|---|---|---|
| SCHEMBL4650474 | 0.93 | — | — | |
| SCHEMBL35246 | 0.93 | — | — | |
| SCHEMBL5316208 | 0.93 | — | — | |
| Water SCHEMBL5032484 | 0.86 | — | — | |
| Propane SCHEMBL28030009 | 0.80 | LCK (0.31) | — | |
| Ether SCHEMBL22264689 | 0.74 | ALDH1A1 (0.36) | — | |
| SCHEMBL138447 | 0.72 | — | — | |
| SCHEMBL19972184 | 0.71 | — | — | |
| SCHEMBL10409895 | 0.71 | CA1 (0.38) | — | |
| SCHEMBL233072 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101300298-A | Synthesis of mdh-polymer hybrid particles | LS CABLE LTD (KR) | 2008-11-05 | — | — | CN | disclosed |
| EP-1943301-A1 | SYNTHESIS OF MDH-POLYMER HYBRID PARTICLES | LS Cable Ltd. (KR) | 2008-07-16 | — | — | EP | disclosed |
| WO-2007052964-A1 | SYNTHESIS OF MDH-POLYMER HYBRID PARTICLES | LS CABLE LTD. (KR) | 2007-05-10 | — | — | WO | disclosed |