⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27838784 | 0.94 | — | — | |
| SCHEMBL197249 | 0.69 | — | — | |
| SCHEMBL5549501 | 0.67 | — | — | |
| Water SCHEMBL27503697 | 0.67 | — | — | |
| Ethyne SCHEMBL9861196 | 0.65 | — | — | |
| SCHEMBL987624 | 0.65 | — | — | |
| SCHEMBL28052826 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL6051244 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL28902776 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL8167775 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004106343-A2 | AGELASTATIN DERIVATIVES OF ANTITUMOUR AND GSK-3BETA-INHIBITING ALKALOIDS | UFC LIMITED (GB) | 2004-12-09 | — | — | WO | disclosed |