⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9019517 | 0.76 | PTGS1 (0.38) | — | |
| SCHEMBL3194251 | 0.75 | — | — | |
| SCHEMBL1343960 | 0.72 | — | — | |
| SCHEMBL765342 | 0.72 | — | — | |
| SCHEMBL7383345 | 0.70 | — | — | |
| SCHEMBL512904 | 0.70 | — | — | |
| SCHEMBL5150840 | 0.70 | — | — | |
| SCHEMBL9925244 | 0.70 | — | — | |
| SCHEMBL3139164 | 0.70 | — | — | |
| SCHEMBL164475 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-0182111-B1 | PROCESS FOR THE PREPARATION OF PERHALOGENATED COMPOUNDS | BASF Aktiengesellschaft (DE) | 1989-09-20 | — | — | EP | disclosed |
| EP-0193885-A1 | Thiophene derivatives | BASF Aktiengesellschaft (DE) | 1986-09-10 | — | — | EP | disclosed |
| EP-0182111-A1 | Process for the preparation of perhalogenated compounds | BASF Aktiengesellschaft (DE) | 1986-05-28 | — | — | EP | disclosed |