⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7722647 | 0.83 | — | — | |
| SCHEMBL28825680 | 0.78 | — | — | |
| Benzene SCHEMBL7320817 | 0.77 | TSHR (0.46) | — | |
| SCHEMBL4611078 | 0.77 | — | — | |
| SCHEMBL230054 | 0.77 | — | — | |
| SCHEMBL4611710 | 0.77 | — | — | |
| SCHEMBL2304852 | 0.76 | — | — | |
| SCHEMBL10719956 | 0.75 | TSHR (0.44) | — | |
| SCHEMBL29034781 | 0.74 | — | — | |
| SCHEMBL11862597 | 0.74 | TSHR (0.42) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-8198714-A | — | — | None | — | — | JP | disclosed |
| JP-8198715-A | — | — | None | — | — | JP | disclosed |
| JP-8245313-A | — | — | None | — | — | JP | disclosed |
| JP-2001019603-A | MICROBICIDAL OR BACTERIOSTATIC AGENT FOR INDUSTRIAL USE AND INDUSTRIAL MICROBICIDAL OR BACTERIOSTATIC METHOD | KATAYAMA CHEM WORKS CO LTD | 2001-01-23 | — | — | JP | disclosed |
| JP-H08245313-A | INDUSTRIAL FUNGICIDAL BACTERIOSTATIC AGENT I | KATAYAMA CHEM WORKS CO LTD | 1996-09-24 | — | — | JP | disclosed |
| JP-H08198715-A | INDUSTRIAL FUNGICIDE/BACTERICIDE AND INDUSTRIAL FUNGICIDAL/BACTERICIDAL METHOD | KATAYAMA CHEM WORKS CO LTD | 1996-08-06 | — | — | JP | disclosed |
| JP-H08198714-A | INDUSTRIAL FUNGICIDAL/BACTERICIDAL AGENT AND INDUSTRIAL FUNGICIDAL/BACTERICIDAL METHOD | KATAYAMA CHEM WORKS CO LTD | 1996-08-06 | — | — | JP | disclosed |