Known targets — ChEMBL curated mechanism
FGFR1FGFR2FGFR3FGFR4FLT1FLT4KDRPDGFRAPDGFRB
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 SCHEMBL16965845 | 1.00 | CA5A (0.42) | — | |
| Water SCHEMBL475121 | 1.00 | — | — | |
| Water SCHEMBL22581631 | 0.96 | — | — | |
| Water SCHEMBL27813462 | 0.96 | — | — | |
| Ammonia Solution, Strong SCHEMBL27762153 | 0.96 | — | — | |
| Water SCHEMBL22581612 | 0.96 | — | — | |
| SCHEMBL1904 | 0.95 | — | — | |
| SCHEMBL2058760 | 0.95 | CA5A (0.46) | — | |
| SCHEMBL126970 | 0.95 | — | — | |
| Methyl Alcohol SCHEMBL23421569 | 0.91 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103183716-A | Preparation method of tauro ursodesoxy cholic acid | Shandong tianlv pharmaceutical co ltd | 2013-07-03 | — | — | CN | disclosed |
| CN-1142932-C | N,N-dimethyl-1-t-butoxycarbonyl-4-phenylpiperidine-4-carboxamide | ������������ʽ���� | 2004-03-24 | — | — | CN | disclosed |