⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16908975 | 0.60 | — | — | |
| SCHEMBL16924442 | 0.60 | — | — | |
| SCHEMBL2701874 | 0.60 | USP2 (0.33) | — | |
| Water SCHEMBL28002916 | 0.58 | — | — | |
| SCHEMBL7201953 | 0.55 | KDM4E (0.32) | — | |
| SCHEMBL486573 | 0.53 | — | — | |
| Water SCHEMBL16650667 | 0.50 | — | — | |
| SCHEMBL16002393 | 0.50 | KDM5A (0.32) | — | |
| Iodide SCHEMBL1537060 | 0.50 | — | — | |
| SCHEMBL25670763 | 0.49 | GAA (0.31) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2003163030-A | ELECTROLYTE | NIPPON TELEGR & TELEPH CORP <NTT> | 2003-06-06 | — | — | JP | disclosed |