⚠ 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 SCHEMBL21001932 | 0.89 | — | — | |
| SCHEMBL6441698 | 0.89 | — | — | |
| SCHEMBL1922406 | 0.87 | — | — | |
| SCHEMBL27077597 | 0.87 | — | — | |
| SCHEMBL10698198 | 0.87 | — | — | |
| SCHEMBL29008595 | 0.87 | — | — | |
| SCHEMBL27485545 | 0.82 | — | — | |
| SCHEMBL8972006 | 0.75 | — | — | |
| Water SCHEMBL29267356 | 0.75 | — | — | |
| Water SCHEMBL21002186 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004024292-A2 | FACEMASK WITH FILTERING CLOSURE | TRIOSYN HOLDING, INC. (GB) | 2004-03-25 | — | — | WO | disclosed |