⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12449776 | 0.88 | — | — | |
| SCHEMBL14300173 | 0.81 | — | — | |
| SCHEMBL12449777 | 0.80 | CHEK2 (0.33) | — | |
| SCHEMBL1854878 | 0.74 | PDE2A (0.37) | — | |
| SCHEMBL2325507 | 0.67 | CYP1A2 (0.32) | — | |
| Hydrochloric Acid SCHEMBL584375 | 0.66 | CHRNB2 (0.33) | — | |
| SCHEMBL585273 | 0.66 | MAOA (0.34) | — | |
| SCHEMBL14300348 | 0.65 | — | — | |
| Dimethylamine SCHEMBL1861764 | 0.64 | KDM4E (0.38) | — | |
| SCHEMBL2202844 | 0.64 | TSHR (0.37) | — |
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-1558616-B2 | MESO-SUBSTITUTED PORPHYRINS | MOLTENI & C (IT) | 2011-08-24 | — | — | EP | disclosed |