⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15068025 | 0.68 | — | — | |
| SCHEMBL30031452 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL30032167 | 0.62 | — | — | |
| SCHEMBL1427438 | 0.57 | — | — | |
| SCHEMBL10315584 | 0.55 | — | — | |
| SCHEMBL29979395 | 0.52 | ALDH1A1 (0.32) | — | |
| SCHEMBL30142537 | 0.52 | — | — | |
| SCHEMBL7903760 | 0.52 | ALDH1A1 (0.39) | — | |
| SCHEMBL1926088 | 0.52 | — | — | |
| SCHEMBL6779911 | 0.51 | — | — |
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-2797918-A1 | BROMODOMAIN INHIBITORS | AbbVie Inc. (US) | 2014-11-05 | — | — | EP | disclosed |
| WO-2013097601-A1 | BROMODOMAIN INHIBITORS | ABBVIE INC. (US) | 2013-07-04 | — | — | WO | disclosed |