⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6471027 | 0.65 | — | — | |
| SCHEMBL12028057 | 0.50 | — | — | |
| SCHEMBL4362773 | 0.50 | — | — | |
| SCHEMBL9856988 | 0.50 | — | — | |
| SCHEMBL12147320 | 0.47 | — | — | |
| SCHEMBL87733 | 0.46 | — | — | |
| SCHEMBL570870 | 0.42 | — | — | |
| SCHEMBL317417 | 0.39 | — | — | |
| SCHEMBL329489 | 0.39 | — | — | |
| SCHEMBL21806685 | 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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1847533-B1 | SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF | ASAHI KASEI PHARMA CORP (JP) | 2013-08-14 | — | — | EP | disclosed |
| US-7531533-B2 | 6-Membered heterocyclic compound and use thereof | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-05-12 | — | — | US | disclosed |
| EP-1847533-A1 | SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF | Asahi Kasei Pharma Corporation (JP) | 2007-10-24 | — | — | EP | disclosed |
| US-20070060590-A1 | 6-Membered heterocyclic compound and use thereof | ASAHI KASEI PHARMA CORPORATION (JP) | 2007-03-15 | — | — | US | disclosed |
| US-5342937-A | Extraction of metals especially gallium | ZENECA, LIMITED (GB) | 1994-08-30 | — | — | US | disclosed |
| US-5074911-A | Extracting metal values from aqueous solution with immiscible solvent and dissolved heterocyclic thione | IMPERICAL CHEMICAL INDUSTRIES PLC (GB) | 1991-12-24 | — | — | US | disclosed |
| EP-0408203-A2 | Heterocyclic thione | ZENECA LIMITED (GB) | 1991-01-16 | — | — | EP | disclosed |
| US-4146396-A | TWO EQUIVALENT COUPLER | FUJI PHOTO FILM CO., LTD. (JP) | 1979-03-27 | — | — | US | disclosed |