⚠ 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 SCHEMBL688970 | 0.99 | — | — | |
| SCHEMBL691196 | 0.98 | ALDH1A1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL690130 | 0.96 | ALDH1A1 (0.32) | — | |
| SCHEMBL690892 | 0.96 | ALDH1A1 (0.34) | — | |
| SCHEMBL691029 | 0.96 | ALDH1A1 (0.34) | — | |
| Hydrochloric Acid SCHEMBL690836 | 0.95 | ALDH1A1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL690532 | 0.95 | ALDH1A1 (0.33) | — | |
| SCHEMBL691216 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL689870 | 0.94 | — | — | |
| SCHEMBL690392 | 0.89 | — | — |
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-2203486-B9 | RACEMOSELECTIVE SYNTHESIS OF ANSA-METALLOCENE COMPOUNDS, ANSA-METALLOCENE COMPOUNDS, CATALYSTS COMPRISING THEM, PROCESS FOR PRODUCING AN OLEFIN POLYMER BY USE OF THE CATALYSTS, AND OLEFIN HOMO- AND COPOLYMERS | LUMMUS NOVOLEN TECHNOLOGY GMBH (DE) | 2012-08-01 | — | — | EP | claimed |
| EP-2203486-B1 | RACEMOSELECTIVE SYNTHESIS OF ANSA-METALLOCENE COMPOUNDS, ANSA-METALLOCENE COMPOUNDS, CATALYSTS COMPRISING THEM, PROCESS FOR PRODUCING AN OLEFIN POLYMER BY USE OF THE CATALYSTS, AND OLEFIN HOMO- AND COPOLYMERS | LUMMUS NOVOLEN TECHNOLOGY GMBH (DE) | 2012-02-29 | — | — | EP | claimed |