⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3484998 | 0.95 | — | — | |
| SCHEMBL24031778 | 0.64 | — | — | |
| SCHEMBL18361674 | 0.61 | — | — | |
| SCHEMBL13037516 | 0.61 | — | — | |
| SCHEMBL14404769 | 0.61 | — | — | |
| SCHEMBL18500113 | 0.61 | — | — | |
| SCHEMBL12866005 | 0.58 | — | — | |
| SCHEMBL20751076 | 0.57 | — | — | |
| SCHEMBL22788373 | 0.53 | — | — | |
| SCHEMBL141709 | 0.53 | — | — |
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-20090104474-A1 | FUNCTIONALIZED SUBSTRATES AND METHODS OF MAKING SAME | PRINCETON UNIVERSITY (US) | 2009-04-23 | — | — | US | disclosed |