⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29607274 | 0.78 | CES2 (0.30) | — | |
| SCHEMBL1477929 | 0.78 | CES2 (0.30) | — | |
| SCHEMBL30112264 | 0.75 | ACHE (0.30) | — | |
| SCHEMBL9016939 | 0.71 | — | — | |
| SCHEMBL8643010 | 0.67 | — | — | |
| SCHEMBL821643 | 0.65 | — | — | |
| SCHEMBL2972918 | 0.63 | — | — | |
| SCHEMBL2973430 | 0.63 | — | — | |
| SCHEMBL8044713 | 0.57 | SLC6A2 (0.34) | — | |
| SCHEMBL17208921 | 0.57 | — | — |
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-0582195-B1 | Process for the preparation of polymers using specific metallocenes | TARGOR GMBH (DE) | 2000-12-20 | — | — | EP | disclosed |
| US-6087292-A | Metallocene catalysts comprising indenyl ligands substituted with electronegative groups | TANGOR GMBH (DE) | 2000-07-11 | — | — | US | disclosed |
| US-5763542-A | Process for the preparation of an olefin polymer using specific metallocenes | TARGOR GMBH (DE) | 1998-06-09 | — | — | US | disclosed |
| EP-0582195-A1 | Process for the preparation of polymers using specific metallocenes | HOECHST AKTIENGESELLSCHAFT (DE) | 1994-02-09 | — | — | EP | disclosed |