⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18925334 | 0.67 | — | — | |
| SCHEMBL881755 | 0.58 | — | — | |
| SCHEMBL2079893 | 0.58 | DYRK1A (0.41) | — | |
| SCHEMBL13186164 | 0.56 | DYRK1A (0.59) | — | |
| SCHEMBL8223 | 0.56 | DYRK1A (1.00) | — | |
| SCHEMBL2078428 | 0.56 | DYRK1A (0.59) | — | |
| SCHEMBL1056424 | 0.56 | DYRK1A (0.59) | — | |
| SCHEMBL397656 | 0.56 | DYRK1A (0.59) | — | |
| SCHEMBL2000256 | 0.56 | — | — | |
| SCHEMBL3386908 | 0.56 | DYRK1A (0.59) | — |
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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106459058-B | Compound and composition as 7 agonist of TOLL- sample receptor | 诺华股份有限公司 | 2019-07-05 | — | — | CN | disclosed |
| CN-105814057-B | Pyrimidines, pyridines and pyrazines as BTK inhibitors and uses thereof | 默克专利有限公司 | 2019-05-03 | — | — | CN | disclosed |
| US-8884020-B2 | Indole compounds | IRONWOOD PHARMACEUTICALS, INC. (US) | 2014-11-11 | — | — | US | disclosed |
| US-20140107100-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | EXELIXIS, INC. (US) | 2014-04-17 | — | — | US | disclosed |
| US-20140080810-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | EXELIXIS, INC. (US) | 2014-03-20 | — | — | US | disclosed |
| EP-2215074-B1 | ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES | US HEALTH (US) | 2014-02-19 | — | — | EP | disclosed |
| US-8648066-B2 | Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture | EXELIXIS, INC. (US) | 2014-02-11 | — | — | US | disclosed |
| CN-103459384-A | Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture | EXELIXIS INC | 2013-12-18 | — | — | CN | disclosed |
| EP-2640366-A2 | BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE | Exelixis, Inc. (US) | 2013-09-25 | — | — | EP | disclosed |
| EP-2610244-A1 | Indole compounds | Ironwood Pharmaceuticals, Inc. (US) | 2013-07-03 | — | — | EP | disclosed |
| US-20100267712-A1 | ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES | The United States of America, as represented by the Secretary, Department of Health and | 2010-10-21 | — | — | US | disclosed |
| EP-2215074-A1 | ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES | The United States of America, as Represented by the Secretary, Department of Health and Human Services (US) | 2010-08-11 | — | — | EP | 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-2009042907-A1 | ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2009-04-02 | — | — | WO | disclosed |
| WO-2008103866-A1 | SYNTHESIS OF INDOLES | MICROBIA, INC. (US) | 2008-08-28 | — | — | WO | 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 |