⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2385718 | 0.84 | HTR1A (0.30) | — | |
| SCHEMBL1956522 | 0.84 | HTR1A (0.30) | — | |
| SCHEMBL20608598 | 0.84 | HTR1A (0.30) | — | |
| SCHEMBL13255130 | 0.84 | HTR1A (0.30) | — | |
| SCHEMBL12863960 | 0.80 | — | — | |
| SCHEMBL11973621 | 0.74 | — | — | |
| SCHEMBL12863961 | 0.70 | — | — | |
| SCHEMBL11761907 | 0.69 | HTR1A (0.30) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL38660221 | 0.64 | ALDH1A1 (0.33) | — | |
| SCHEMBL25171038 | 0.63 | — | — |
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-2550258-A2 | APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES | Abbvie Inc. (US) | 2013-01-30 | — | — | EP | disclosed |
| WO-2011119345-A2 | APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES | ABBOTT LABORATORIES (US) | 2011-09-29 | — | — | WO | disclosed |