⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9636715 | 0.92 | LMNA (0.47) | — | |
| SCHEMBL21785 | 0.87 | — | — | |
| SCHEMBL8770124 | 0.84 | — | — | |
| SCHEMBL1639825 | 0.84 | — | — | |
| Urea SCHEMBL11078143 | 0.82 | ALDH1A1 (0.60) | — | |
| SCHEMBL9056052 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL28971513 | 0.82 | — | — | |
| SCHEMBL6396285 | 0.82 | — | — | |
| Urea SCHEMBL11075731 | 0.75 | LMNA (0.50) | — | |
| SCHEMBL3258468 | 0.75 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0714397-A4 | — | — | 1996-06-26 | — | — | EP | claimed |
| EP-0714397-A1 | PHENETHYLAMINE COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1996-06-05 | — | — | EP | claimed |
| WO-1995005386-A1 | PHENETHYLAMINE COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1995-02-23 | — | — | WO | claimed |
| CN-1158252-C | Process for preparing biurea | 陈尧天 | 2004-07-21 | — | — | CN | disclosed |
| US-5710180-A | TREATING ALLERGIC AND INFLAMMATORY DISEASES | SMITHKLINE BEECHAM CORPORATION (US) | 1998-01-20 | — | — | US | disclosed |
| EP-0714397-A4 | — | — | 1996-06-26 | — | — | EP | disclosed |
| EP-0714397-A1 | PHENETHYLAMINE COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1996-06-05 | — | — | EP | disclosed |
| WO-1995005386-A1 | PHENETHYLAMINE COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1995-02-23 | — | — | WO | disclosed |