⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12623426 | 0.91 | CYP2C8 (0.37) | — | |
| SCHEMBL12623969 | 0.86 | CYP2C8 (0.31) | — | |
| SCHEMBL12623681 | 0.86 | EGFR (0.34) | — | |
| SCHEMBL12623921 | 0.85 | ALDH1A1 (0.37) | — | |
| SCHEMBL12623091 | 0.85 | MAPT (0.39) | — | |
| SCHEMBL12623743 | 0.85 | HTR1A (0.31) | — | |
| SCHEMBL12623984 | 0.83 | PPARG (0.33) | — | |
| SCHEMBL12388812 | 0.83 | ELANE (0.33) | — | |
| SCHEMBL12388851 | 0.83 | KDM4E (0.33) | — | |
| SCHEMBL12623832 | 0.82 | MAPT (0.31) | — |
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 |