⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5889946 | 0.86 | DPP4 (0.30) | — | |
| SCHEMBL5891107 | 0.86 | — | — | |
| SCHEMBL5890238 | 0.85 | MAPT (0.34) | — | |
| SCHEMBL5354254 | 0.84 | BRD4 (0.30) | — | |
| SCHEMBL3672745 | 0.84 | MAPT (0.34) | — | |
| SCHEMBL5360910 | 0.83 | BRD4 (0.31) | — | |
| SCHEMBL5891271 | 0.82 | — | — | |
| SCHEMBL5890222 | 0.82 | — | — | |
| SCHEMBL5890276 | 0.81 | GABRA1 (0.32) | — | |
| SCHEMBL5890199 | 0.81 | TRPA1 (0.33) | — |
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-1421090-B1 | METALLOCENES AND CATALYST COMPOSITIONS DERIVED THEREFROM | EXXONMOBIL CHEM PATENTS INC (US) | 2014-03-26 | — | — | EP | disclosed |
| US-7297747-B2 | Polymerization process and polymer composition | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-11-20 | — | — | US | disclosed |
| US-6870016-B1 | Polymerization process and polymer composition | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2005-03-22 | — | — | US | disclosed |
| US-20050059785-A1 | Polymerization process and polymer composition | HART JAMES R (US) | 2005-03-17 | — | — | US | disclosed |
| US-20050054520-A1 | Metallocenes and catalyst compositions derived therefrom | EXXONMOBIL CHEMICAL PATENT INC. | 2005-03-10 | — | — | US | disclosed |