⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1808613 | 0.92 | — | — | |
| SCHEMBL1701087 | 0.70 | PTGS2 (0.38) | — | |
| SCHEMBL1700943 | 0.69 | — | — | |
| SCHEMBL15538325 | 0.65 | — | — | |
| SCHEMBL31564153 | 0.64 | — | — | |
| SCHEMBL1699869 | 0.63 | — | — | |
| SCHEMBL21291326 | 0.63 | KDM4E (0.42) | — | |
| SCHEMBL1700643 | 0.62 | — | — | |
| SCHEMBL1392903 | 0.61 | — | — | |
| SCHEMBL1700803 | 0.60 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2576546-A1 | APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES | Abbvie Inc. (US) | 2013-04-10 | — | — | EP | disclosed |
| WO-2011149492-A1 | APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES | ABBOTT LABORATORIES (US) | 2011-12-01 | — | — | WO | disclosed |
| WO-2010138588-A9 | APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES | ABBOTT LABORATORIES (US) | 2011-05-05 | — | — | WO | disclosed |