⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9681480 | 0.92 | — | — | |
| SCHEMBL11181276 | 0.74 | — | — | |
| SCHEMBL3108689 | 0.71 | — | — | |
| SCHEMBL12420649 | 0.69 | — | — | |
| SCHEMBL12420646 | 0.69 | — | — | |
| SCHEMBL12420645 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL7478912 | 0.69 | — | — | |
| SCHEMBL9114781 | 0.67 | — | — | |
| SCHEMBL23538389 | 0.65 | — | — | |
| SCHEMBL465050 | 0.63 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0741731-A1 | PROCESS FOR EPOXIDISING PROCHIRAL OLEFINS AND A CATALYST THEREFOR AND INTERMEDIATES FOR MAKING THE CATALYST | SMITHKLINE BEECHAM PLC (GB) | 1996-11-13 | — | — | EP | disclosed |
| WO-1995021172-A1 | PROCESS FOR EPOXIDISING PROCHIRAL OLEFINS AND A CATALYST THEREFOR AND INTERMEDIATES FOR MAKING THE CATALYST | SMITHKLINE BEECHAM P.L.C. (GB) | 1995-08-10 | — | — | WO | disclosed |
| EP-0655950-A1 | CHIRAL CATALYSTS AND EPOXIDATION REACTIONS CATALYZED THEREBY. | SMITHKLINE BEECHAM PLC (GB) | 1995-06-07 | — | — | EP | disclosed |
| WO-1994003271-A1 | CHIRAL CATALYSTS AND EPOXIDATION REACTIONS CATALYZED THEREBY | SMITHKLINE BEECHAM PLC (GB) | 1994-02-17 | — | — | WO | disclosed |