⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19384683 | 0.78 | — | — | |
| SCHEMBL1139576 | 0.73 | — | — | |
| SCHEMBL1139057 | 0.73 | — | — | |
| SCHEMBL19384644 | 0.72 | — | — | |
| SCHEMBL5153967 | 0.72 | LMNA (0.36) | — | |
| SCHEMBL10314775 | 0.71 | — | — | |
| SCHEMBL5144644 | 0.71 | — | — | |
| SCHEMBL10314780 | 0.71 | — | — | |
| SCHEMBL2742888 | 0.71 | — | — | |
| SCHEMBL394265 | 0.71 | — | — |
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-2017162661-A1 | 1H-BENZO[DE]ISOQUINOLINE-1,3(2H)-DIONES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2017-09-28 | — | — | WO | disclosed |