⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16411945 | 0.92 | CA1 (0.30) | — | |
| SCHEMBL4610974 | 0.92 | CA1 (0.30) | — | |
| SCHEMBL3400248 | 0.92 | CA1 (0.30) | — | |
| SCHEMBL585683 | 0.92 | CA1 (0.30) | — | |
| SCHEMBL436200 | 0.87 | CA1 (0.30) | — | |
| SCHEMBL7918126 | 0.87 | CA1 (0.30) | — | |
| SCHEMBL4898640 | 0.86 | MEN1 (0.37) | — | |
| SCHEMBL7918020 | 0.82 | — | — | |
| SCHEMBL439286 | 0.82 | — | — | |
| SCHEMBL7918017 | 0.82 | — | — |
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-2000159613-A | INSECT REPELLENT FOR CLOTHING | SUMITOMO CHEM CO LTD | 2000-06-13 | — | — | JP | disclosed |