⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9465521 | 1.00 | — | — | |
| SCHEMBL7664518 | 0.89 | — | — | |
| SCHEMBL7664512 | 0.89 | — | — | |
| SCHEMBL9033468 | 0.85 | — | — | |
| SCHEMBL9033451 | 0.85 | — | — | |
| SCHEMBL9034651 | 0.84 | — | — | |
| SCHEMBL9031380 | 0.84 | — | — | |
| SCHEMBL9031374 | 0.84 | — | — | |
| SCHEMBL9034646 | 0.84 | — | — | |
| SCHEMBL9034445 | 0.83 | — | — |
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-5239083-A | Anticarcinogenic agents, prostate cancer treatment | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1993-08-24 | — | — | US | disclosed |