⚠ 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 SCHEMBL3678632 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL3681687 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL3685956 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL714305 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL3687058 | 0.82 | SOD1 (0.33) | — | |
| SCHEMBL8016683 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL3682893 | 0.80 | — | — | |
| SCHEMBL5710150 | 0.80 | MAPT (0.31) | — | |
| Hydrochloric Acid SCHEMBL3677636 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL714654 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1785429-B1 | PROCESS FOR PRODUCING METALLOCENE COMPOUND | SUMITOMO CHEMICAL CO (JP) | 2012-10-03 | — | — | EP | disclosed |
| EP-1785429-A1 | PROCESS FOR PRODUCING METALLOCENE COMPOUND | Sumitomo Chemical Company, Limited (JP) | 2007-05-16 | — | — | EP | disclosed |