⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2384558 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL2384208 | 0.86 | — | — | |
| SCHEMBL5087304 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL716645 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL2400515 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL3684388 | 0.81 | — | — | |
| SCHEMBL3854533 | 0.81 | — | — | |
| SCHEMBL28745685 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL3683515 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL716086 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2138503-A1 | TRANSITION METAL COMPLEX, PROCESS FOR PRODUCING THE SAME, AND USE | Sumitomo Chemical Company, Limited (JP) | 2009-12-30 | — | — | EP | disclosed |