⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19029675 | 0.94 | — | — | |
| SCHEMBL21855404 | 0.88 | — | — | |
| SCHEMBL117239 | 0.88 | — | — | |
| SCHEMBL10251 | 0.87 | — | — | |
| SCHEMBL11299947 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL28471868 | 0.80 | — | — | |
| SCHEMBL10499529 | 0.80 | — | — | |
| Ammonia Solution, Strong SCHEMBL6442671 | 0.80 | — | — | |
| SCHEMBL112652 | 0.80 | — | — | |
| SCHEMBL7725 | 0.79 | — | — |
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-0026030-B1 | CONVERSION OF TOLUENE OVER ZEOLITE ZSM-48 | MOBIL OIL CORPORATION (US) | 1984-07-11 | — | — | EP | disclosed |
| EP-0026030-A1 | Conversion of toluene over zeolite ZSM-48 | MOBIL OIL CORPORATION (US) | 1981-04-01 | — | — | EP | disclosed |