⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27898920 | 0.79 | MCHR1 (0.35) | — | |
| SCHEMBL27881598 | 0.74 | — | — | |
| SCHEMBL28672414 | 0.73 | — | — | |
| SCHEMBL389119 | 0.72 | — | — | |
| SCHEMBL1694599 | 0.71 | — | — | |
| SCHEMBL28042296 | 0.71 | SRD5A2 (0.36) | — | |
| SCHEMBL9651942 | 0.71 | DAO (0.35) | — | |
| SCHEMBL27898927 | 0.70 | PPARG (0.36) | — | |
| Potassium Ion SCHEMBL15194543 | 0.70 | — | — | |
| Methyl Alcohol SCHEMBL10895232 | 0.70 | DAO (0.36) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1453831-A1 | 1H-PYRROLO(3,2-B)PYRIDINE-3-CARBOXYLIC ACID AMIDES | Neurogen Corporation (US) | 2004-09-08 | — | — | EP | claimed |
| WO-2003044018-A1 | 1H-PYRROLO[3,2-B]PYRIDINE-3-CARBOXYLIC ACID AMIDES | NEUROGEN CORPORATION (US) | 2003-05-30 | — | — | WO | claimed |
| CN-103517910-B | Morpholine-spirocyclic piperidine amides as modulators of ion channels | 沃泰克斯药物股份有限公司 | 2016-12-14 | — | — | CN | disclosed |
| US-8507680-B2 | Production process of a heteroaryl-type boron compounds with iridium catalyst | MITSUBISHI RAYON CO., LTD. (JP) | 2013-08-13 | — | — | US | disclosed |
| US-20120142924-A1 | PRODUCTION PROCESS OF A HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST | MITSUBISHI RAYON CO., LTD. (JP) | 2012-06-07 | — | — | US | disclosed |
| US-8143407-B2 | Process for production of heteroaryl-type boron compounds with iridium catalyst | MITSUBISHI RAYON CO., LTD. (JP) | 2012-03-27 | — | — | US | disclosed |
| EP-1481978-B1 | PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST | MITSUBISHI RAYON CO (JP) | 2011-09-14 | — | — | EP | disclosed |
| US-20100010224-A1 | PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST | MITSUBISHI RAYON CO., LTD. (JP) | 2010-01-14 | — | — | US | disclosed |
| US-7612218-B2 | Process for production of heteroaryl-type boron compounds with iridium catalyst | MITSUBISHI RAYON CO., LTD. (JP) | 2009-11-03 | — | — | US | disclosed |
| US-20050148775-A1 | Process for production of heteroaryl-type boron compounds with iridium catalyst | MITSUBISHI RAYON CO., LTD. (JP) | 2005-07-07 | — | — | US | disclosed |
| EP-1481978-A1 | PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST | Mitsubishi Rayon Co., Ltd. (JP) | 2004-12-01 | — | — | EP | disclosed |