⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL460532 | 0.69 | — | — | |
| SCHEMBL13241201 | 0.67 | MAPK1 (0.31) | — | |
| SCHEMBL7070385 | 0.65 | — | — | |
| SCHEMBL7067370 | 0.63 | — | — | |
| SCHEMBL1276314 | 0.60 | — | — | |
| SCHEMBL937165 | 0.60 | ALDH1A1 (0.33) | — | |
| SCHEMBL90415 | 0.60 | — | — | |
| SCHEMBL8935422 | 0.59 | — | — | |
| SCHEMBL9880281 | 0.57 | — | — | |
| SCHEMBL16802862 | 0.57 | — | — |
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-5300280-A | Adding modified or unmodified cyclodextrin; ligands, such as phosphines, to bond radioisotope as myocaridal imaging agent | MALLINCKRODT MEDICAL, INC. (US) | 1994-04-05 | — | — | US | claimed |