⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8074428 | 1.00 | — | — | |
| SCHEMBL974119 | 1.00 | — | — | |
| SCHEMBL5406262 | 0.72 | — | — | |
| SCHEMBL26121868 | 0.72 | — | — | |
| SCHEMBL18530078 | 0.65 | — | — | |
| SCHEMBL31256604 | 0.65 | — | — | |
| SCHEMBL2696971 | 0.65 | — | — | |
| SCHEMBL3927878 | 0.65 | — | — | |
| SCHEMBL19363012 | 0.65 | — | — | |
| SCHEMBL818248 | 0.65 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0897977-B1 | Enzyme complex | HOFFMANN LA ROCHE (CH) | 2004-03-03 | — | — | EP | disclosed |
| EP-0897977-A2 | Enzyme complex | F. HOFFMANN-LA ROCHE AG (CH) | 1999-02-24 | — | — | EP | disclosed |
| EP-0325190-A2 | Pentosansulfate medium | Roche Diagnostics GmbH (DE) | 1989-07-26 | — | — | EP | disclosed |