⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6050555 | 1.00 | — | — | |
| SCHEMBL6050553 | 1.00 | — | — | |
| SCHEMBL5652011 | 0.78 | — | — | |
| SCHEMBL5652006 | 0.78 | — | — | |
| SCHEMBL536080 | 0.72 | — | — | |
| SCHEMBL995320 | 0.72 | CYP1A2 (0.38) | — | |
| SCHEMBL28878775 | 0.70 | CYP1A2 (0.32) | — | |
| SCHEMBL6050275 | 0.69 | MEN1 (0.35) | — | |
| SCHEMBL1639903 | 0.69 | — | — | |
| SCHEMBL28744964 | 0.68 | CYP1A2 (0.33) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6887871-B2 | Use of phenylheteroakylamine derivatives | ASTRAZENECA AB (SE) | 2005-05-03 | — | — | US | disclosed |
| EP-1263711-B1 | NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES | ASTRAZENECA AB (SE) | 2004-12-15 | — | — | EP | disclosed |
| US-20030158185-A1 | Novel use of phenylheteroakylamine derivatives | ASTRAZENECA AB (SE) | 2003-08-21 | — | — | US | disclosed |
| EP-1263711-A1 | NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES | AstraZeneca AB (SE) | 2002-12-11 | — | — | EP | disclosed |
| WO-2001062704-A1 | NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES | ASTRAZENECA AB (SE) | 2001-08-30 | — | — | WO | disclosed |