⚠ 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 SCHEMBL2053404 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL2052149 | 0.86 | GABRA1 (0.35) | — | |
| SCHEMBL4557525 | 0.81 | RXRA (0.34) | — | |
| Hydrochloric Acid SCHEMBL2054369 | 0.80 | RXRA (0.33) | — | |
| Hydrochloric Acid SCHEMBL2052240 | 0.80 | ALDH1A1 (0.37) | — | |
| SCHEMBL6443808 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL722209 | 0.78 | POLB (0.31) | — | |
| Hydrochloric Acid SCHEMBL2053794 | 0.75 | CYP3A4 (0.39) | — | |
| Hydrochloric Acid SCHEMBL721520 | 0.75 | GABRA1 (0.31) | — | |
| SCHEMBL12401789 | 0.72 | CA1 (0.42) | — |
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 |