⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3262023 | 0.97 | SPHK2 (0.79) | — | |
| SCHEMBL1795496 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL7060562 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL3228 | 0.94 | — | — | |
| SCHEMBL1238028 | 0.88 | — | — | |
| SCHEMBL172792 | 0.86 | SPHK2 (1.00) | — | |
| SCHEMBL172772 | 0.86 | SPHK2 (1.00) | — | |
| SCHEMBL1794389 | 0.86 | SPHK2 (1.00) | — | |
| SCHEMBL1793921 | 0.86 | — | — | |
| SCHEMBL2698594 | 0.86 | SPHK2 (1.00) | — |
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-1231910-B1 | PENTAMIDINE FOR TREATING CANCER | ONCOZYME PHARMA INC (CA) | 2009-05-20 | — | — | EP | disclosed |