⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24308925 | 0.76 | — | — | |
| SCHEMBL371428 | 0.74 | — | — | |
| SCHEMBL11250214 | 0.72 | — | — | |
| SCHEMBL4132422 | 0.69 | — | — | |
| SCHEMBL24309053 | 0.67 | OPRM1 (0.38) | — | |
| SCHEMBL20780468 | 0.67 | — | — | |
| SCHEMBL21799386 | 0.67 | — | — | |
| SCHEMBL4123953 | 0.67 | — | — | |
| Butane SCHEMBL9862606 | 0.65 | OPRM1 (0.38) | — | |
| SCHEMBL24860086 | 0.62 | OPRM1 (0.48) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008128189-A9 | ANTI-CANCER COMPOSITIONS AND METHODS | THE PENN STATE RESEARCH FOUNDATION (US) | 2009-10-22 | — | — | WO | disclosed |
| WO-2008128189-A1 | ANTI-CANCER COMPOSITIONS AND METHODS | THE PENN STATE RESEARCH FOUNDATION (US) | 2008-10-23 | — | — | WO | disclosed |