⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12987170 | 0.87 | ANPEP (0.31) | — | |
| SCHEMBL13636832 | 0.82 | — | — | |
| SCHEMBL14028687 | 0.78 | — | — | |
| SCHEMBL9945716 | 0.77 | THRB (0.32) | — | |
| SCHEMBL14471221 | 0.76 | — | — | |
| SCHEMBL18888062 | 0.75 | — | — | |
| SCHEMBL5940287 | 0.75 | TDP1 (0.32) | — | |
| SCHEMBL6377644 | 0.75 | TDP1 (0.32) | — | |
| SCHEMBL4597272 | 0.72 | — | — | |
| SCHEMBL13636831 | 0.70 | THRB (0.39) | — |
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-20170360940-A1 | NUCLEOPHILE-TRIGGERED DEGRADABLE MATERIALS AND METHODS OF MAKING AND USING THE SAME | NATIONAL SCIENCE FOUNDATION | 2017-12-21 | — | — | US | disclosed |