⚠ 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 SCHEMBL3009311 | 0.99 | — | — | |
| SCHEMBL4577620 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL3011740 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL3009305 | 0.90 | — | — | |
| SCHEMBL4577347 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL3010065 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL3001448 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL3010877 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL3010283 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL2869858 | 0.82 | — | — |
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-1900744-A1 | TRANSITION METAL COMPOUND, OLEFIN POLYMERIZATION CATALYST, AND PROCESS FOR PRODUCING OLEFIN POLYMER | Mitsui Chemicals, Inc. (JP) | 2008-03-19 | — | — | EP | disclosed |