⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12624036 | 0.80 | — | — | |
| SCHEMBL12623747 | 0.75 | NOS2 (0.31) | — | |
| SCHEMBL12624029 | 0.75 | PARP1 (0.30) | — | |
| SCHEMBL12623935 | 0.75 | — | — | |
| SCHEMBL12624146 | 0.75 | — | — | |
| SCHEMBL12623806 | 0.74 | TSHR (0.38) | — | |
| SCHEMBL12623890 | 0.74 | — | — | |
| SCHEMBL12623848 | 0.74 | CYP2C8 (0.37) | — | |
| SCHEMBL12624081 | 0.74 | PARP1 (0.31) | — | |
| SCHEMBL12624035 | 0.73 | PARP1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110104109-A1 | TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS | MERCK SHARP & DOHME CORP. | 2011-05-05 | — | — | US | disclosed |
| US-20110104109-A1 | TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS | MERCK SHARP & DOHME CORP. | 2011-05-05 | — | — | US | disclosed |