⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5609455 | 0.94 | — | — | |
| SCHEMBL5614398 | 0.92 | — | — | |
| SCHEMBL5608696 | 0.91 | DHFR (0.30) | — | |
| SCHEMBL5609547 | 0.90 | — | — | |
| SCHEMBL5608941 | 0.89 | — | — | |
| SCHEMBL5614631 | 0.89 | — | — | |
| SCHEMBL5609550 | 0.89 | — | — | |
| SCHEMBL5615212 | 0.89 | ELANE (0.31) | — | |
| SCHEMBL5609227 | 0.88 | — | — | |
| SCHEMBL5609888 | 0.87 | DHFR (0.30) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1640377-B1 | Metallocenes and catalyst compositions derived therefrom | EXXONMOBIL CHEM PATENTS INC (US) | 2007-07-25 | — | — | EP | disclosed |
| US-7157591-B2 | Metallocenes and catalyst compositions derived therefrom | EXXONMOBIE CHEMICAL PATENTS INC. (US) | 2007-01-02 | — | — | US | disclosed |
| US-20050037919-A1 | Metallocenes and catalyst compositions derived therefrom | EXXONMOBIL CHEMICAL PATENTS INC. | 2005-02-17 | — | — | US | disclosed |
| EP-1456217-A1 | METALLOCENES AND CATALYST COMPOSITIONS DERIVED THEREFROM | Exxonmobil Chemical Patents Inc. (US) | 2004-09-15 | — | — | EP | disclosed |
| WO-2003050131-A1 | METALLOCENES AND CATALYST COMPOSITIONS DERIVED THEREFROM | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2003-06-19 | — | — | WO | disclosed |