⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1972047 | 0.89 | LMNA (0.30) | — | |
| SCHEMBL5925133 | 0.81 | — | — | |
| SCHEMBL1971106 | 0.81 | — | — | |
| SCHEMBL4648440 | 0.74 | LMNA (0.30) | — | |
| SCHEMBL30984481 | 0.71 | — | — | |
| SCHEMBL30984477 | 0.69 | LMNA (0.32) | — | |
| SCHEMBL23648035 | 0.69 | — | — | |
| SCHEMBL1801893 | 0.67 | — | — | |
| SCHEMBL1977858 | 0.67 | — | — | |
| SCHEMBL1976217 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4329460-A | ANTICANCER AGENTS, ANTIVIRAL AGENTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1982-05-11 | — | — | US | disclosed |
| US-4190656-A | VIRICIDES, ANTITUMOR AGENTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1980-02-26 | — | — | US | disclosed |