⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5551639 | 0.65 | CCR1 (0.36) | — | |
| SCHEMBL2012402 | 0.65 | — | — | |
| SCHEMBL2005810 | 0.65 | — | — | |
| SCHEMBL29354327 | 0.64 | — | — | |
| SCHEMBL5306 | 0.64 | — | — | |
| SCHEMBL2005446 | 0.62 | — | — | |
| SCHEMBL206593 | 0.62 | — | — | |
| SCHEMBL29650 | 0.62 | — | — | |
| SCHEMBL5551632 | 0.61 | DYRK1A (0.33) | — | |
| SCHEMBL449019 | 0.61 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4482496-A | WHITENERS | CIBA-GEIGY CORPORATION (US) | 1984-11-13 | — | — | US | claimed |
| 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 |
| US-20070203209-A1 | Useful indole compounds | IRONWOOD PHARMACEUTICALS, INC. | 2007-08-30 | — | — | US | disclosed |