⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9150555 | 0.80 | — | — | |
| SCHEMBL14826037 | 0.71 | — | — | |
| SCHEMBL16876750 | 0.67 | — | — | |
| SCHEMBL29154606 | 0.63 | — | — | |
| SCHEMBL17268373 | 0.63 | — | — | |
| SCHEMBL31552455 | 0.59 | — | — | |
| SCHEMBL1321648 | 0.58 | — | — | |
| SCHEMBL28600351 | 0.56 | — | — | |
| Water SCHEMBL28520663 | 0.54 | — | — | |
| SCHEMBL14722063 | 0.50 | — | — |
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 |