⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL42070 | 0.95 | — | — | |
| SCHEMBL12570292 | 0.91 | TDP1 (0.40) | — | |
| SCHEMBL7963310 | 0.91 | — | — | |
| SCHEMBL11259767 | 0.91 | — | — | |
| SCHEMBL10122628 | 0.91 | TDP1 (0.40) | — | |
| Hydrochloric Acid SCHEMBL25414584 | 0.91 | — | — | |
| SCHEMBL11454029 | 0.91 | — | — | |
| SCHEMBL12570288 | 0.91 | TDP1 (0.40) | — | |
| SCHEMBL10122625 | 0.91 | TDP1 (0.40) | — | |
| SCHEMBL12570289 | 0.91 | TDP1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001066524-A2 | INTERMEDIATES USEFUL FOR THE SYNTHESIS OF HUPERZINE A | GEORGETOWN UNIVERSITY (US) | 2001-09-13 | — | — | WO | disclosed |
| US-6271379-B1 | Intermediates useful for the synthesis of huperzine A | GEORGETOWN UNIVERSITY | 2001-08-07 | — | — | US | disclosed |