⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1416350 | 0.94 | — | — | |
| Sulfuric Acid SCHEMBL4277252 | 0.65 | GAA (0.30) | — | |
| SCHEMBL11561904 | 0.61 | KDM4E (0.39) | — | |
| SCHEMBL38650794 | 0.60 | CDK1 (0.31) | — | |
| SCHEMBL1177716 | 0.58 | — | — | |
| SCHEMBL13825974 | 0.58 | KDM4E (0.32) | — | |
| SCHEMBL8155865 | 0.57 | NAPRT (0.42) | — | |
| SCHEMBL4521682 | 0.57 | SIRT6 (0.42) | — | |
| SCHEMBL11561900 | 0.56 | TSHR (0.39) | — | |
| SCHEMBL28106968 | 0.54 | CA5A (0.50) | — |
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-2516445-A2 | TRICYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | Cephalon, Inc. (US) | 2012-10-31 | — | — | EP | disclosed |
| WO-2011087712-A2 | TRICYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | CEPHALON, INC. (US) | 2011-07-21 | — | — | WO | disclosed |