⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2920598 | 0.78 | — | — | |
| SCHEMBL43482 | 0.78 | — | — | |
| Water SCHEMBL2941331 | 0.67 | — | — | |
| SCHEMBL7055070 | 0.67 | — | — | |
| SCHEMBL10749693 | 0.67 | — | — | |
| SCHEMBL2361040 | 0.67 | — | — | |
| SCHEMBL4456476 | 0.67 | — | — | |
| SCHEMBL19656208 | 0.67 | — | — | |
| SCHEMBL8637393 | 0.67 | — | — | |
| SCHEMBL8634281 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5071815-A | Method for producing catalysts | BRITISH COLUMBIA RESEARCH CORPORATION (CA) | 1991-12-10 | — | — | US | disclosed |