⚠ 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 SCHEMBL2414144 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL2381700 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL3684388 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL2383304 | 0.86 | ALDH1A1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL2384772 | 0.84 | — | — | |
| SCHEMBL4419854 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL716388 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL2383128 | 0.80 | — | — | |
| SCHEMBL3819642 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL2384208 | 0.79 | — | — |
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-20100063228-A1 | TRANSITION METAL COMPLEX, PROCESS FOR PRODUCING THE SAME, AND USE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-03-11 | — | — | US | disclosed |