⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL28508429 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL28547793 | 1.00 | TDP1 (0.57) | — | |
| SCHEMBL1425833 | 0.95 | — | — | |
| SCHEMBL27680114 | 0.91 | — | — | |
| SCHEMBL4912396 | 0.91 | — | — | |
| SCHEMBL8709751 | 0.91 | — | — | |
| Ethylene SCHEMBL10704744 | 0.87 | — | — | |
| Ethylene Glycol SCHEMBL7580153 | 0.81 | HPGD (0.47) | — | |
| Ethylene Glycol SCHEMBL17512165 | 0.81 | HPGD (0.47) | — | |
| Ethylene Glycol SCHEMBL7573163 | 0.81 | HPGD (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107429075-B | Activatable two-component photosensitizer | 卡内基梅隆大学 | 2022-11-01 | — | — | CN | disclosed |