⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18776221 | 0.73 | — | — | |
| SCHEMBL92050 | 0.69 | — | — | |
| SCHEMBL7029000 | 0.67 | — | — | |
| SCHEMBL760096 | 0.67 | — | — | |
| SCHEMBL9968801 | 0.64 | — | — | |
| SCHEMBL6764963 | 0.64 | — | — | |
| SCHEMBL2910568 | 0.64 | — | — | |
| SCHEMBL20127261 | 0.60 | — | — | |
| SCHEMBL465096 | 0.57 | — | — | |
| SCHEMBL2213884 | 0.54 | — | — |
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 |