⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1264778 | 0.76 | — | — | |
| SCHEMBL3089585 | 0.70 | — | — | |
| SCHEMBL2435792 | 0.69 | — | — | |
| SCHEMBL260946 | 0.65 | — | — | |
| SCHEMBL2697970 | 0.65 | — | — | |
| SCHEMBL7039503 | 0.63 | — | — | |
| SCHEMBL3110654 | 0.59 | — | — | |
| SCHEMBL6056177 | 0.59 | — | — | |
| SCHEMBL6314523 | 0.59 | — | — | |
| SCHEMBL6309225 | 0.59 | — | — |
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-5888994-A | ANTICANCER AGNETS; ANTITUMOR AGENTS; GLANDULAR DISORDERS | HOFFMANN-LA ROCHE INC. (US) | 1999-03-30 | — | — | US | disclosed |