⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27844905 | 0.76 | ALDH1A1 (0.44) | — | |
| SCHEMBL3085654 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL31256504 | 0.71 | ALDH1A1 (0.38) | — | |
| SCHEMBL24664061 | 0.69 | ALDH1A1 (0.45) | — | |
| SCHEMBL13955322 | 0.69 | MAOB (0.31) | — | |
| SCHEMBL15833486 | 0.67 | INMT (0.38) | — | |
| SCHEMBL16339700 | 0.67 | KDM4E (0.44) | — | |
| SCHEMBL16339701 | 0.67 | KDM4E (0.44) | — | |
| SCHEMBL3234814 | 0.65 | IDH1 (0.47) | — | |
| SCHEMBL4560464 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113646050-A | Thieno [3,2-B ] pyrrolo [3,2-D ] pyridazinone derivatives and their use as PKM2 derivatives for the treatment of cancer, obesity and diabetes related disorders | 安吉奥斯医药品有限公司 | 2021-11-12 | — | — | CN | disclosed |
| US-5523279-A | COMPOSITION FOR CONTROLLING MONOCOTYLEDENOUS AND DICOTYLEDENOUS PLANT SPECIES | AMERICAN CYANAMID COMPANY (US) | 1996-06-04 | — | — | US | disclosed |
| US-5516751-A | NONPHYTOTOXIC; SUGAR BEETS, SOYBEANS | AMERICAN CYANAMID COMPANY (US) | 1996-05-14 | — | — | US | disclosed |
| EP-0474991-B1 | Herbicidal 2-(2-imidazolin -2-yl)-benzazoles | AMERICAN CYANAMID CO (US) | 1995-10-18 | — | — | EP | disclosed |
| US-5453415-A | To control monocotyledons and dicotyledones; apply to foilage, soil, or water containing seeds; pre-and post-emergence | AMERICAN CYANAMID COMPANY (US) | 1995-09-26 | — | — | US | disclosed |
| US-5300479-A | Pre-and postemergence herbicides | AMERICAN CYANAMID COMPANY (US) | 1994-04-05 | — | — | US | disclosed |
| US-5108485-A | Controlling monocotyledonous and dicotyledonous plants | AMERICAN CYANAMID COMPANY (US) | 1992-04-28 | — | — | US | disclosed |
| EP-0474991-A1 | Herbicidal 2-(2-imidazolin -2-yl)-benzazoles | AMERICAN CYANAMID COMPANY (US) | 1992-03-18 | — | — | EP | disclosed |