⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9767736 | 0.75 | — | — | |
| SCHEMBL147747 | 0.72 | — | — | |
| SCHEMBL8881861 | 0.68 | — | — | |
| SCHEMBL8881866 | 0.68 | — | — | |
| SCHEMBL457230 | 0.68 | — | — | |
| SCHEMBL455610 | 0.68 | — | — | |
| SCHEMBL1126073 | 0.66 | MAPT (0.44) | — | |
| SCHEMBL8880898 | 0.65 | — | — | |
| SCHEMBL7704111 | 0.65 | — | — | |
| SCHEMBL8880901 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0823927-A2 | INK COMPOSITION | ZENECA LIMITED (GB) | 1998-02-18 | — | — | EP | disclosed |
| WO-1996034916-A2 | INK COMPOSITION | ZENECA LIMITED (GB) | 1996-11-07 | — | — | WO | disclosed |