⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12629152 | 0.69 | ENPP3 (0.48) | — | |
| SCHEMBL12628558 | 0.68 | TP53 (0.36) | — | |
| SCHEMBL13162782 | 0.68 | ITGB2 (0.31) | — | |
| SCHEMBL13162780 | 0.66 | — | — | |
| SCHEMBL12628495 | 0.66 | TDP1 (0.37) | — | |
| SCHEMBL12628649 | 0.66 | KDM4E (0.42) | — | |
| SCHEMBL13162324 | 0.66 | AR (0.35) | — | |
| SCHEMBL13638797 | 0.65 | — | — | |
| SCHEMBL12628651 | 0.65 | S1PR1 (0.39) | — | |
| SCHEMBL12628650 | 0.65 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7960544-B2 | Useful indole compounds | IRONWOOD PHARMACEUTICALS, INC. (US) | 2011-06-14 | — | — | US | disclosed |
| US-20100197708-A1 | INDOLE COMPOUNDS | WELLS FARGO BANK, NATIONAL ASSOCIATION | 2010-08-05 | — | — | US | disclosed |
| US-20090264653-A1 | USEFUL INDOLE COMPOUNDS | IRONWOOD PHARMACEUTICALS, INC. | 2009-10-22 | — | — | US | disclosed |
| US-20090118503-A1 | FAAH INHIBITORS | IRONWOOD PHARMACEUTICALS, INC. | 2009-05-07 | — | — | US | disclosed |