⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL760576 | 0.63 | — | — | |
| SCHEMBL689709 | 0.63 | — | — | |
| SCHEMBL14553391 | 0.62 | MIF (0.41) | — | |
| SCHEMBL3346631 | 0.59 | — | — | |
| SCHEMBL6649387 | 0.59 | — | — | |
| SCHEMBL2920738 | 0.57 | — | — | |
| SCHEMBL24192307 | 0.57 | TSHR (0.31) | — | |
| SCHEMBL9483612 | 0.57 | — | — | |
| SCHEMBL1602992 | 0.55 | — | — | |
| SCHEMBL21707535 | 0.55 | ALDH1A1 (0.36) | — |
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-6214826-B1 | NERVOUS SYSTEM DISORDERS | ZENECA LIMITED (GB) | 2001-04-10 | — | — | US | disclosed |