⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8657190 | 0.67 | — | — | |
| SCHEMBL20978652 | 0.62 | — | — | |
| SCHEMBL3727103 | 0.60 | — | — | |
| SCHEMBL17422063 | 0.57 | — | — | |
| SCHEMBL7529638 | 0.57 | ALDH1A1 (0.33) | — | |
| SCHEMBL5281483 | 0.49 | TSHR (0.43) | — | |
| SCHEMBL9730908 | 0.48 | — | — | |
| SCHEMBL21829068 | 0.47 | — | — | |
| SCHEMBL7519328 | 0.47 | TSHR (1.00) | — | |
| SCHEMBL20981827 | 0.46 | — | — |
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-0724569-B1 | PROCESS FOR THE PREPARATION OF AN OXIRANE, AZIRIDINE OR CYCLOPROPANE | AVECIA LTD (GB) | 2003-03-12 | — | — | EP | disclosed |
| US-5703246-A | REACTING AN ORGANOMETALLIC COMPOUND WITH ORGANOSULFUR COMPOUND | ZENECA LIMITED (GB) | 1997-12-30 | — | — | US | disclosed |
| EP-0724569-A1 | PROCESS FOR THE PREPARATION OF AN OXIRANE, AZIRIDINE OR CYCLOPROPANE | ZENECA LIMITED (GB) | 1996-08-07 | — | — | EP | disclosed |
| WO-1995011230-A1 | PROCESS FOR THE PREPARATION OF AN OXIRANE, AZIRIDINE OR CYCLOPROPANE | ZENECA LIMITED (GB) | 1995-04-27 | — | — | WO | disclosed |