⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL76857 | 0.79 | BBOX1 (1.00) | — | |
| SCHEMBL29702886 | 0.76 | BBOX1 (0.92) | — | |
| Water SCHEMBL29110904 | 0.76 | BBOX1 (0.92) | — | |
| SCHEMBL30261103 | 0.73 | BBOX1 (0.73) | — | |
| SCHEMBL1653476 | 0.66 | BBOX1 (0.57) | — | |
| SCHEMBL150725 | 0.65 | BBOX1 (0.60) | — | |
| Bromide SCHEMBL9069066 | 0.62 | BBOX1 (0.56) | — | |
| SCHEMBL6477690 | 0.62 | BBOX1 (0.56) | — | |
| Hydrochloric Acid SCHEMBL3629169 | 0.62 | BBOX1 (0.56) | — | |
| Phosphine SCHEMBL14917741 | 0.62 | BBOX1 (0.56) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1534720-A1 | MITOCHONDRIALLY TARGETED ANTIOXIDANTS | Medical Research Council (GB) | 2005-06-01 | — | — | EP | disclosed |
| WO-2004014927-A1 | MITOCHONDRIALLY TARGETED ANTIOXIDANTS | MEDICAL RESEARCH COUNCIL (GB) | 2004-02-19 | — | — | WO | disclosed |