⚠ 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 SCHEMBL2420103 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL2400515 | 0.83 | — | — | |
| SCHEMBL3683994 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL2383747 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL2384618 | 0.80 | ACHE (0.38) | — | |
| Hydrochloric Acid SCHEMBL2381973 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL2384123 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL2383673 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL2382856 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL2384208 | 0.75 | — | — |
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-1498178-B1 | Transition metal complex and process for producing the same | SUMITOMO CHEMICAL CO (JP) | 2008-06-11 | — | — | EP | disclosed |