⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2010348 | 0.64 | — | — | |
| SCHEMBL81622 | 0.62 | — | — | |
| SCHEMBL3933180 | 0.62 | — | — | |
| SCHEMBL28827577 | 0.61 | — | — | |
| SCHEMBL14438044 | 0.61 | ADORA2A (0.36) | — | |
| SCHEMBL30323275 | 0.61 | — | — | |
| SCHEMBL454592 | 0.60 | — | — | |
| SCHEMBL3934769 | 0.58 | — | — | |
| SCHEMBL452008 | 0.58 | — | — | |
| SCHEMBL2007656 | 0.58 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8884020-B2 | Indole compounds | IRONWOOD PHARMACEUTICALS, INC. (US) | 2014-11-11 | — | — | US | disclosed |
| EP-2610244-A1 | Indole compounds | Ironwood Pharmaceuticals, Inc. (US) | 2013-07-03 | — | — | EP | disclosed |
| 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 |
| EP-2049520-A2 | INDOLE COMPOUNDS | Ironwood Pharmaceuticals, Inc. (US) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008103866-A1 | SYNTHESIS OF INDOLES | MICROBIA, INC. (US) | 2008-08-28 | — | — | WO | disclosed |
| EP-1931632-A2 | USEFUL INDOLE COMPOUNDS | Microbia Inc. (US) | 2008-06-18 | — | — | EP | disclosed |
| WO-2008019357-A2 | INDOLE COMPOUNDS | IRONWOOD PHARMACEUTICALS, INC. (US) | 2008-02-14 | — | — | WO | 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 |