⚠ 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 SCHEMBL2421929 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL724047 | 0.80 | — | — | |
| SCHEMBL28798292 | 0.79 | — | — | |
| SCHEMBL4417114 | 0.79 | NR1H2 (0.32) | — | |
| Hydrochloric Acid SCHEMBL722251 | 0.78 | NR1H2 (0.31) | — | |
| Hydrochloric Acid SCHEMBL2052610 | 0.76 | ALDH1A1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL3806320 | 0.74 | — | — | |
| SCHEMBL4557525 | 0.74 | RXRA (0.34) | — | |
| SCHEMBL4533341 | 0.74 | NR1H2 (0.30) | — | |
| SCHEMBL27490989 | 0.74 | ALDH1A1 (0.31) | — |
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 |