⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12163462 | 0.82 | HMGCR (0.31) | — | |
| SCHEMBL16288811 | 0.80 | — | — | |
| SCHEMBL959915 | 0.65 | ALDH1A1 (0.38) | — | |
| SCHEMBL9129875 | 0.64 | — | — | |
| SCHEMBL473080 | 0.59 | ALDH1A1 (0.63) | — | |
| SCHEMBL29405187 | 0.59 | ALDH1A1 (0.63) | — | |
| SCHEMBL21471146 | 0.59 | ALDH1A1 (0.41) | — | |
| SCHEMBL7638 | 0.59 | ALDH1A1 (0.63) | — | |
| SCHEMBL22496001 | 0.57 | ALDH1A1 (0.60) | — | |
| SCHEMBL1176773 | 0.57 | ALDH1A1 (0.60) | — |
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-3653226-A1 | BACTERIOCHLORIN FOR MEDICAL USE AND FOR GENERATING SINGLET OXYGEN AND OTHER REACTIVE OXYGEN SPECIES AND PRODUCTION PROCESS | Christian-Albrechts-Universität zu Kiel (DE) | 2020-05-20 | — | — | EP | disclosed |