⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2143543 | 0.94 | — | — | |
| SCHEMBL27740040 | 0.91 | — | — | |
| SCHEMBL27987753 | 0.91 | — | — | |
| SCHEMBL31560428 | 0.91 | — | — | |
| SCHEMBL31450759 | 0.91 | — | — | |
| SCHEMBL27499909 | 0.91 | — | — | |
| SCHEMBL27343446 | 0.91 | — | — | |
| SCHEMBL18620900 | 0.85 | — | — | |
| Pyrrole SCHEMBL27742813 | 0.82 | — | — | |
| Pyrrole SCHEMBL27742670 | 0.81 | — | — |
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-1066301-A4 | CONSTRAINED GEOMETRY METALLOCENE CATALYST COMPLEXES | BOULDER SCIENT CO (US) | 2002-07-03 | — | — | EP | claimed |
| EP-1066301-A1 | CONSTRAINED GEOMETRY METALLOCENE CATALYST COMPLEXES | BOULDER SCIENTIFIC COMPANY (US) | 2001-01-10 | — | — | EP | claimed |
| WO-2000046230-A1 | CONSTRAINED GEOMETRY METALLOCENE CATALYST COMPLEXES | BOULDER SCIENTIFIC COMPANY (US) | 2000-08-10 | — | — | WO | claimed |