⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21389180 | 0.91 | EPHX1 (0.50) | — | |
| SCHEMBL23153501 | 0.91 | EPHX1 (0.55) | — | |
| SCHEMBL2937238 | 0.89 | EPHX1 (0.59) | — | |
| SCHEMBL22197123 | 0.89 | EPHX1 (0.59) | — | |
| SCHEMBL2930782 | 0.85 | NAMPT (0.42) | — | |
| SCHEMBL5483953 | 0.80 | — | — | |
| SCHEMBL15158080 | 0.79 | MEN1 (0.51) | — | |
| SCHEMBL4434279 | 0.78 | — | — | |
| SCHEMBL256679 | 0.78 | — | — | |
| SCHEMBL1378744 | 0.78 | TDP1 (0.54) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010015588-A1 | BENZYL-SUBSTITUTED TETRACYCLIC HETEROCYCLIC COMPOUNDS | NYCOMED GMBH (DE) | 2010-02-11 | — | — | WO | disclosed |