⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14535750 | 0.76 | BRD9 (0.32) | — | |
| SCHEMBL7996476 | 0.68 | ALDH1A1 (0.35) | — | |
| SCHEMBL14285082 | 0.65 | NT5E (0.35) | — | |
| SCHEMBL28180007 | 0.65 | ALDH1A1 (0.35) | — | |
| SCHEMBL14562749 | 0.65 | ALDH1A1 (0.35) | — | |
| SCHEMBL2517442 | 0.65 | ALDH1A1 (0.35) | — | |
| SCHEMBL28807262 | 0.65 | ALDH1A1 (0.35) | — | |
| SCHEMBL27979361 | 0.65 | ALDH1A1 (0.35) | — | |
| SCHEMBL3912294 | 0.65 | NPC1 (0.43) | — | |
| SCHEMBL3913647 | 0.65 | NPC1 (0.43) | — |
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-1470127-B1 | N, N'-DIMETHYLATED N-CONFUSED PORPHYRINS | UNIV BRITISH COLUMBIA (CA) | 2007-05-02 | — | — | EP | disclosed |