⚠ 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 | |
|---|---|---|---|---|
| Lithium SCHEMBL3971083 | 0.99 | — | — | |
| SCHEMBL3972475 | 0.76 | — | — | |
| Lithium SCHEMBL3965731 | 0.75 | — | — | |
| SCHEMBL4468810 | 0.71 | CFTR (0.33) | — | |
| SCHEMBL3967802 | 0.71 | CFTR (0.33) | — | |
| SCHEMBL5595914 | 0.71 | CFTR (0.33) | — | |
| Hydrochloric Acid SCHEMBL5599215 | 0.70 | CFTR (0.32) | — | |
| Lithium SCHEMBL5574358 | 0.70 | CFTR (0.32) | — | |
| SCHEMBL29035817 | 0.62 | LMNA (0.32) | — | |
| SCHEMBL21416522 | 0.61 | CFTR (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1471085-A1 | NON-RIGID PROPYLENE RESIN COMPOSITION | Mitsubishi Chemical Corporation (JP) | 2004-10-27 | — | — | EP | disclosed |