⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2969525 | 0.93 | — | — | |
| SCHEMBL13327388 | 0.93 | — | — | |
| SCHEMBL2977070 | 0.90 | — | — | |
| SCHEMBL2976502 | 0.88 | — | — | |
| SCHEMBL2976807 | 0.83 | — | — | |
| SCHEMBL2977064 | 0.81 | — | — | |
| SCHEMBL2970918 | 0.79 | — | — | |
| SCHEMBL13221833 | 0.79 | MAOA (0.32) | — | |
| SCHEMBL2660462 | 0.77 | KDM4E (0.34) | — | |
| SCHEMBL13348462 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100137610-A1 | Indole compound | YASUMA TSUNEO | 2010-06-03 | — | — | US | disclosed |