⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14437984 | 0.84 | — | — | |
| SCHEMBL20674046 | 0.74 | — | — | |
| SCHEMBL21481130 | 0.74 | — | — | |
| SCHEMBL17265830 | 0.73 | — | — | |
| SCHEMBL14200141 | 0.70 | KDM4E (0.35) | — | |
| SCHEMBL20798977 | 0.70 | — | — | |
| SCHEMBL23176296 | 0.70 | — | — | |
| SCHEMBL16806280 | 0.69 | KDM4E (0.33) | — | |
| SCHEMBL16576804 | 0.68 | KDM4E (0.32) | — | |
| SCHEMBL14200138 | 0.68 | KDM4E (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070203209-A1 | Useful indole compounds | IRONWOOD PHARMACEUTICALS, INC. | 2007-08-30 | — | — | US | disclosed |
| US-20070203209-A1 | Useful indole compounds | IRONWOOD PHARMACEUTICALS, INC. | 2007-08-30 | — | — | US | disclosed |
| WO-2007022501-A2 | USEFUL INDOLE COMPOUNDS | MICROBIA, INC. (US) | 2007-02-22 | — | — | WO | disclosed |