⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL268597 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL26687907 | 0.89 | — | — | |
| SCHEMBL2921665 | 0.84 | — | — | |
| SCHEMBL20031670 | 0.82 | — | — | |
| SCHEMBL7149482 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL4272090 | 0.78 | — | — | |
| SCHEMBL7248416 | 0.74 | — | — | |
| SCHEMBL22624139 | 0.74 | — | — | |
| SCHEMBL14879529 | 0.74 | — | — | |
| SCHEMBL27724463 | 0.74 | — | — |
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-2008128058-A1 | NEW GALLIUM BISAMINOTHIOLATE COMPLEXES FOR MYOCARDIAL IMAGING | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2008-10-23 | — | — | WO | disclosed |