⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5573 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL3571584 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL9020669 | 0.92 | — | — | |
| Bromide SCHEMBL7112966 | 0.92 | — | — | |
| SCHEMBL9187858 | 0.92 | — | — | |
| SCHEMBL23304293 | 0.92 | — | — | |
| Iodide SCHEMBL7115096 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL1533611 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL1956986 | 0.92 | — | — | |
| SCHEMBL29493177 | 0.92 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009158381-A1 | NOVEL PSYMBERIN DERIVATIVES, COMPOSITIONS, AND THEIR USE AS ANTINEOPLASTIC AGENTS | SCHERING CORPORATION (US) | 2009-12-30 | — | — | WO | disclosed |