⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11988957 | 0.74 | — | — | |
| SCHEMBL10054247 | 0.72 | — | — | |
| SCHEMBL30277117 | 0.71 | — | — | |
| SCHEMBL17060526 | 0.70 | — | — | |
| SCHEMBL19024049 | 0.69 | — | — | |
| SCHEMBL10274078 | 0.67 | — | — | |
| SCHEMBL4683316 | 0.67 | — | — | |
| SCHEMBL22142580 | 0.67 | — | — | |
| SCHEMBL15185118 | 0.67 | — | — | |
| SCHEMBL15832400 | 0.67 | — | — |
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-1998025630-A1 | TRANSALDOLASE-MEDIATED REGULATION OF APOPTOSIS | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 1998-06-18 | — | — | WO | disclosed |