⚠ 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 | |
|---|---|---|---|---|
| Ethane SCHEMBL9435627 | 0.84 | — | — | |
| SCHEMBL12388151 | 0.84 | — | — | |
| SCHEMBL14750254 | 0.84 | — | — | |
| SCHEMBL16282512 | 0.74 | — | — | |
| SCHEMBL338801 | 0.73 | — | — | |
| Acetone SCHEMBL11333841 | 0.71 | LMNA (0.43) | — | |
| SCHEMBL13746990 | 0.71 | — | — | |
| Ethane SCHEMBL269650 | 0.71 | — | — | |
| SCHEMBL7152385 | 0.70 | — | — | |
| SCHEMBL7271127 | 0.70 | — | — |
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-5006329-A | Radioactive tagged compounds and method for the treatment of metastatic bone cancer | CADEMA MEDICAL PRODUCTS, INC. (US) | 1991-04-09 | — | — | US | disclosed |