⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3921452 | 1.00 | — | — | |
| SCHEMBL1003235 | 0.78 | — | — | |
| SCHEMBL9404445 | 0.71 | SIGMAR1 (0.33) | — | |
| SCHEMBL22715989 | 0.59 | — | — | |
| SCHEMBL17143362 | 0.57 | TYR (0.33) | — | |
| SCHEMBL13967229 | 0.56 | LMNA (0.33) | — | |
| SCHEMBL5316374 | 0.54 | — | — | |
| SCHEMBL15388350 | 0.54 | — | — | |
| SCHEMBL11579611 | 0.53 | — | — | |
| SCHEMBL3643150 | 0.52 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7652172-B2 | Expeditious synthesis of DPD | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2010-01-26 | — | — | US | disclosed |
| US-20090018368-A1 | EXPEDITIOUS SYNTHESIS OF DPD | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2009-01-15 | — | — | US | disclosed |