⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5344039 | 0.91 | POLB (0.31) | — | |
| SCHEMBL5344283 | 0.82 | CNR2 (0.33) | — | |
| SCHEMBL6652909 | 0.77 | — | — | |
| SCHEMBL6647878 | 0.75 | ALDH1A1 (0.46) | — | |
| SCHEMBL26606283 | 0.74 | CA1 (0.34) | — | |
| SCHEMBL5344329 | 0.74 | HTR7 (0.38) | — | |
| SCHEMBL29767630 | 0.74 | HTR7 (0.38) | — | |
| SCHEMBL6646904 | 0.73 | — | — | |
| SCHEMBL28424456 | 0.72 | HTR7 (0.37) | — | |
| SCHEMBL5347333 | 0.72 | S1PR4 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1421090-A2 | METALLOCENES AND CATALYST COMPOSITIONS DERIVED THEREFROM | Exxonmobil Chemical Patents Inc. (US) | 2004-05-26 | — | — | EP | disclosed |
| WO-2003002583-A2 | METALLOCENES AND CATALYST COMPOSITIONS DERIVED THEREFROM | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2003-01-09 | — | — | WO | disclosed |