⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9815997 | 0.75 | TSHR (0.41) | — | |
| SCHEMBL16468814 | 0.71 | — | — | |
| SCHEMBL38322 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL20995323 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL28967109 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL9309545 | 0.67 | — | — | |
| SCHEMBL3075111 | 0.64 | TSHR (0.47) | — | |
| SCHEMBL10871007 | 0.64 | — | — | |
| SCHEMBL599901 | 0.64 | TSHR (0.47) | — | |
| SCHEMBL2935124 | 0.64 | TSHR (0.47) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0942006-B1 | Catalyst for olefin polymer production and process for olefin polymer production employing the catalyst | TOSOH CORP (JP) | 2003-06-04 | — | — | EP | disclosed |
| US-6372681-B1 | METALLOCENE OF TRANSITION METAL AND; METAL OXIDE, SULFIDE, PHOSPHIDE, CARBIDE, NITRIDE, AND/OR SELENIDE; ORGANOALKALINE EARTH OR ZINC COMPOUND; AND ORGANOALUMINUM COMPOUND | TOSOH CORPORATION (JP) | 2002-04-16 | — | — | US | disclosed |
| EP-0942006-A2 | Catalyst for olefin polymer production and process for olefin polymer production employing the catalyst | TOSOH CORPORATION (JP) | 1999-09-15 | — | — | EP | disclosed |