⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3302046 | 0.91 | CHKA (0.32) | — | |
| SCHEMBL4510267 | 0.87 | LMNA (0.42) | — | |
| SCHEMBL4677595 | 0.85 | ADRB1 (0.41) | — | |
| SCHEMBL16816618 | 0.64 | SLC6A2 (0.36) | — | |
| SCHEMBL1727698 | 0.58 | — | — | |
| SCHEMBL5256 | 0.56 | — | — | |
| SCHEMBL49776 | 0.56 | — | — | |
| SCHEMBL220987 | 0.56 | — | — | |
| SCHEMBL277548 | 0.56 | — | — | |
| SCHEMBL3651286 | 0.54 | — | — |
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-1330448-A2 | 1,3-BIS-(SUBSTITUTED-PHENYL)-2-PROPEN-1-ONES AND THEIR USE TO TREAT VCAM-1 MEDIATED DISORDERS | Atherogenics, Inc. (US) | 2003-07-30 | — | — | EP | disclosed |
| WO-2001098291-A2 | 1,3-BIS-(SUBSTITUTED-PHENYL)-2-PROPEN-1-ONES AND THEIR USE TO TREAT VCAM-1 MEDIATED DISORDERS | ATHEROGENICS, INC. (US) | 2001-12-27 | — | — | WO | disclosed |