⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13326697 | 0.84 | — | — | |
| SCHEMBL19045386 | 0.79 | CPN1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL19030022 | 0.77 | CPN1 (0.35) | — | |
| SCHEMBL2638899 | 0.77 | — | — | |
| SCHEMBL2706392 | 0.77 | — | — | |
| Tert-Butyl Formate SCHEMBL28300638 | 0.76 | TDP1 (0.42) | — | |
| Hydrochloric Acid SCHEMBL14917263 | 0.74 | CPN1 (0.35) | — | |
| SCHEMBL10290718 | 0.73 | — | — | |
| SCHEMBL17366304 | 0.72 | — | — | |
| SCHEMBL387912 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104906100-A | Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases | ABBOTT LAB | 2015-09-16 | — | — | CN | disclosed |
| CN-104876927-A | APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES | ABBOTT LAB | 2015-09-02 | — | — | CN | disclosed |
| CN-102448959-B | Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases | ABBVIE BAHAMAS LTD | 2015-06-17 | — | — | CN | disclosed |