⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12111209 | 0.82 | — | — | |
| SCHEMBL51997 | 0.81 | — | — | |
| SCHEMBL18125413 | 0.80 | — | — | |
| SCHEMBL18125411 | 0.80 | — | — | |
| SCHEMBL18125409 | 0.80 | — | — | |
| SCHEMBL18125474 | 0.80 | — | — | |
| SCHEMBL12714440 | 0.80 | — | — | |
| SCHEMBL3437776 | 0.80 | — | — | |
| SCHEMBL18125478 | 0.80 | — | — | |
| SCHEMBL15892662 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7601703-B2 | Enzyme catalyzed therapeutic agents | CELMED ONCOLOGY (USA), INC. (CA) | 2009-10-13 | — | — | US | disclosed |