⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1321755 | 0.76 | — | — | |
| SCHEMBL8404456 | 0.76 | — | — | |
| SCHEMBL18312845 | 0.73 | — | — | |
| SCHEMBL13827867 | 0.73 | — | — | |
| SCHEMBL5124123 | 0.72 | PKM (0.41) | — | |
| SCHEMBL5021587 | 0.72 | L3MBTL1 (0.50) | — | |
| SCHEMBL7037634 | 0.72 | EHMT2 (0.40) | — | |
| SCHEMBL5060580 | 0.72 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL10664400 | 0.72 | NUDT1 (0.40) | — | |
| SCHEMBL20579066 | 0.70 | ABCC9 (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 |
|---|---|---|---|---|---|---|---|
| WO-2008051318-A2 | SHAPE MEMORY POLYMERS | UNIVERSITY OF ROCHESTER (US) | 2008-05-02 | — | — | WO | disclosed |