⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11299840 | 0.63 | — | — | |
| SCHEMBL28415059 | 0.60 | TDP1 (0.43) | — | |
| SCHEMBL22321658 | 0.57 | — | — | |
| SCHEMBL31320527 | 0.57 | NSD1 (0.33) | — | |
| SCHEMBL29344230 | 0.57 | CA1 (0.40) | — | |
| SCHEMBL29802594 | 0.57 | TTR (0.40) | — | |
| SCHEMBL901849 | 0.52 | ALDH1A1 (0.42) | — | |
| SCHEMBL30133425 | 0.52 | ALDH1A1 (0.42) | — | |
| SCHEMBL28395247 | 0.52 | — | — | |
| SCHEMBL29769758 | 0.52 | — | — |
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-2665724-A1 | BICYCLIC INHIBITORS OF ALK | AbbVie Inc. (US) | 2013-11-27 | — | — | EP | disclosed |
| WO-2012097479-A1 | BICYCLIC INHIBITORS OF ANAPHASTIC LYMPHOMA KINASE | ABBOTT LABORATORIES (US) | 2012-07-26 | — | — | WO | disclosed |
| WO-2012097682-A1 | BICYCLIC INHIBITORS OF ALK | ABBOTT LABORATORIES (US) | 2012-07-26 | — | — | WO | disclosed |