⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5610175 | 0.93 | — | — | |
| SCHEMBL5609629 | 0.92 | PDCD1 (0.30) | — | |
| SCHEMBL5609395 | 0.92 | HEXA (0.31) | — | |
| SCHEMBL5614399 | 0.91 | — | — | |
| SCHEMBL5608941 | 0.91 | — | — | |
| SCHEMBL5615399 | 0.91 | — | — | |
| SCHEMBL5610253 | 0.89 | — | — | |
| SCHEMBL5614398 | 0.89 | — | — | |
| SCHEMBL5614387 | 0.88 | — | — | |
| SCHEMBL5615025 | 0.88 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |