⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19101077 | 1.00 | IDO1 (0.53) | — | |
| SCHEMBL7745330 | 0.90 | SMN1; SMN2 (0.52) | — | |
| SCHEMBL2794675 | 0.71 | IDO1 (1.00) | — | |
| SCHEMBL863150 | 0.69 | — | — | |
| Iodide SCHEMBL6677753 | 0.68 | — | — | |
| SCHEMBL11562573 | 0.67 | SMN1; SMN2 (0.82) | — | |
| SCHEMBL3072017 | 0.67 | ALDH1A1 (0.61) | — | |
| SCHEMBL3078929 | 0.67 | ALDH1A1 (0.61) | — | |
| SCHEMBL2793556 | 0.66 | EPHX2 (0.59) | — | |
| SCHEMBL7745327 | 0.65 | SMN1; SMN2 (0.52) | — |
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-2003106436-A1 | NEMATICIDAL TETRAZOLE-CONTAINING TRIFLUOROBUTENES | BAYER CROPSCIENCE AG (DE) | 2003-12-24 | — | — | WO | disclosed |