⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13478061 | 0.80 | CA4 (0.38) | — | |
| SCHEMBL298779 | 0.79 | — | — | |
| SCHEMBL8484584 | 0.74 | — | — | |
| SCHEMBL4957348 | 0.72 | TSHR (0.47) | — | |
| SCHEMBL7338051 | 0.72 | EGLN1 (0.37) | — | |
| SCHEMBL15728002 | 0.72 | — | — | |
| SCHEMBL11516461 | 0.72 | — | — | |
| SCHEMBL11389603 | 0.72 | — | — | |
| SCHEMBL11061743 | 0.72 | — | — | |
| SCHEMBL1332028 | 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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111393268-B | Process method for preparing 5,6-dimethoxy-1, 2-indandione | 苏州百灵威超精细材料有限公司 | 2022-11-18 | — | — | CN | disclosed |
| EP-3718405-A1 | METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS | PTC Therapeutics, Inc. (US) | 2020-10-07 | — | — | EP | disclosed |
| US-9914747-B2 | Extended betulinic acid analogs | VIIV Healthcare UK (No.5) Limited (GB) | 2018-03-13 | — | — | US | disclosed |
| US-20170334945-A1 | EXTENDED BETULINIC ACID ANALOGS | BRISTOL-MYERS SQUIBB COMPANY | 2017-11-23 | — | — | US | disclosed |
| US-8133992-B2 | Azepinoindole and pyridoindole derivatives as pharmaceutical agents | EXELIXIS, INC. (US) | 2012-03-13 | — | — | US | disclosed |
| EP-1532153-B1 | AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS | X CEPTOR THERAPEUTICS INC (US) | 2012-02-29 | — | — | EP | disclosed |
| US-20100173824-A1 | Azepinoindole Derivatives As Pharmaceutical Agents | EXELIXIS, INC. (US) | 2010-07-08 | — | — | US | disclosed |
| US-20090326218-A1 | Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents | EXELIXIS, INC. (US) | 2009-12-31 | — | — | US | disclosed |
| EP-0537267-B1 | AUTOBIOTICS AND THEIR USE IN ELIMINATING NONSELF CELLS IN VIVO | CELL RES CORP (US) | 1994-09-28 | — | — | EP | disclosed |
| US-4190644-A | CATIONIC POLYALKANOLAMINES | KEWANEE INDUSTRIES, INC. (US) | 1980-02-26 | — | — | US | disclosed |
| US-4188293-A | CATIONIC POLYAMIDES OF OLIGOMERS | KEWANEE INDUSTRIES, INC. (US) | 1980-02-12 | — | — | US | disclosed |
| US-4006132-A | 1'-Formyl-1'-halobenzeneazomethane compounds having herbicidal activity | THE UPJOHN COMPANY (US) | 1977-02-01 | — | — | US | disclosed |