⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8380349 | 0.86 | — | — | |
| SCHEMBL9751039 | 0.72 | — | — | |
| SCHEMBL7999098 | 0.72 | — | — | |
| SCHEMBL9750872 | 0.72 | — | — | |
| SCHEMBL2507037 | 0.62 | — | — | |
| SCHEMBL9646957 | 0.62 | MT-CO2 (0.33) | — | |
| SCHEMBL15613113 | 0.62 | — | — | |
| SCHEMBL13328491 | 0.61 | CYP19A1 (0.33) | — | |
| SCHEMBL19492325 | 0.60 | TSHR (0.38) | — | |
| SCHEMBL10385805 | 0.59 | — | — |
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-8188303-B2 | Anti-malarial compound isolated from Gomphostema niveum | THE DIRECTOR GENERAL, DEFENCE RESEARCH AND DEVELOPMENT ORGANISATION (IN) | 2012-05-29 | — | — | US | disclosed |