⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7790644 | 0.71 | — | — | |
| SCHEMBL5557769 | 0.67 | MAOA (0.31) | — | |
| SCHEMBL7794567 | 0.67 | — | — | |
| SCHEMBL22115865 | 0.64 | — | — | |
| SCHEMBL5497320 | 0.64 | IDO1 (0.38) | — | |
| SCHEMBL16267301 | 0.64 | MEN1 (0.32) | — | |
| SCHEMBL308273 | 0.64 | HTR6 (0.40) | — | |
| SCHEMBL8106518 | 0.63 | GSK3B (0.31) | — | |
| SCHEMBL7524851 | 0.63 | ACHE (0.36) | — | |
| SCHEMBL3684627 | 0.62 | HTR6 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1155698-A1 | ORGANOBORON COMPOUNDS EXHIBITING ANTICOCCIDIAL ACTIVITIES | Nitto Kasei Co., Ltd. (JP) | 2001-11-21 | — | — | EP | disclosed |