⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6465752 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL7178587 | 0.88 | MEN1 (0.88) | — | |
| Ammonia Solution, Strong SCHEMBL2479392 | 0.88 | MEN1 (0.88) | — | |
| Ammonia Solution, Strong SCHEMBL3100137 | 0.88 | MEN1 (0.88) | — | |
| Ammonia Solution, Strong SCHEMBL21611720 | 0.88 | — | — | |
| Ammonia Solution, Strong SCHEMBL2535374 | 0.88 | — | — | |
| Ammonia Solution, Strong SCHEMBL22462079 | 0.88 | — | — | |
| Ammonia Solution, Strong SCHEMBL4810157 | 0.88 | — | — | |
| Ammonia Solution, Strong SCHEMBL5846428 | 0.88 | — | — | |
| Ammonia Solution, Strong SCHEMBL9472077 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0037168-B1 | SHAPE SELECTIVE REACTIONS WITH GROUP IB MODIFIED ZEOLITE CATALYSTS | MOBIL OIL CORPORATION (US) | 1984-08-08 | — | — | EP | disclosed |
| US-4374045-A | FOR ALKYLATION OF AROMATIC HYDROCARBONS | MOBIL OIL CORPORATION (US) | 1983-02-15 | — | — | US | disclosed |
| EP-0037168-A1 | Shape selective reactions with group IB modified zeolite catalysts | MOBIL OIL CORPORATION (US) | 1981-10-07 | — | — | EP | disclosed |
| US-4276438-A | ALKYLATION AND DISPROPORTIONATION OF AROMATIC HYDROCARBONS | MOBIL OIL CORPORATION (US) | 1981-06-30 | — | — | US | disclosed |