⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30667121 | 0.75 | CYP2A6 (0.35) | — | |
| SCHEMBL5953457 | 0.75 | CYP2A6 (0.35) | — | |
| SCHEMBL1319720 | 0.72 | TRPA1 (0.41) | — | |
| SCHEMBL31359427 | 0.72 | TRPA1 (0.41) | — | |
| SCHEMBL12122310 | 0.72 | — | — | |
| SCHEMBL1452615 | 0.72 | ADRA2A (0.36) | — | |
| SCHEMBL4275973 | 0.71 | PTGS2 (0.32) | — | |
| SCHEMBL3687303 | 0.70 | CYP1A2 (0.39) | — | |
| SCHEMBL5953568 | 0.69 | GABRA1 (0.39) | — | |
| SCHEMBL16393553 | 0.69 | GABRA1 (0.39) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2368896-B1 | Mono-indenyl transition metal compounds and polymerization therewith | EXXONMOBIL CHEM PATENTS INC (US) | 2016-08-24 | — | — | EP | disclosed |