⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12333804 | 0.75 | HDAC1 (0.33) | — | |
| SCHEMBL5350652 | 0.69 | CA1 (0.32) | — | |
| SCHEMBL6026178 | 0.67 | — | — | |
| SCHEMBL27910903 | 0.67 | — | — | |
| SCHEMBL60643 | 0.67 | — | — | |
| SCHEMBL60642 | 0.67 | — | — | |
| SCHEMBL21301521 | 0.66 | — | — | |
| SCHEMBL18515739 | 0.65 | — | — | |
| Ammonia Solution, Strong SCHEMBL9958332 | 0.65 | — | — | |
| SCHEMBL8065365 | 0.65 | — | — |
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-2008118935-A1 | COMPOUNDS AND PROCESSES FOR PREPARING SUBSTITUTED AMINOMETHYL-2,3,8,9-TETRAHYDRO-7H-1,4-DIOXINO[2,3-E]INDOL-8-ONES | NEUROGEN CORPORATION (US) | 2008-10-02 | — | — | WO | disclosed |