⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5864329 | 0.69 | NOS3 (0.30) | — | |
| SCHEMBL14944866 | 0.65 | — | — | |
| SCHEMBL283057 | 0.65 | — | — | |
| SCHEMBL5864336 | 0.63 | — | — | |
| SCHEMBL20734661 | 0.63 | NOS3 (0.30) | — | |
| SCHEMBL17260391 | 0.63 | — | — | |
| SCHEMBL1056468 | 0.62 | MAP3K14 (0.43) | — | |
| SCHEMBL5864460 | 0.60 | SIGMAR1 (0.38) | — | |
| SCHEMBL31384507 | 0.57 | — | — | |
| SCHEMBL6907753 | 0.55 | — | — |
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-2552908-A2 | HETEROCYCLIC COMPOUNDS AND THEIR USES | Amgen Inc. (US) | 2013-02-06 | — | — | EP | disclosed |
| WO-2011123751-A2 | HETEROCYCLIC COMPOUNDS AND THEIR USES | AMGEN INC. (US) | 2011-10-06 | — | — | WO | disclosed |