⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9760644 | 0.77 | — | — | |
| SCHEMBL8873179 | 0.71 | TP53 (1.00) | — | |
| SCHEMBL22730 | 0.71 | — | — | |
| SCHEMBL29349499 | 0.71 | — | — | |
| Cyanide SCHEMBL27487091 | 0.71 | TP53 (0.82) | — | |
| SCHEMBL5318805 | 0.69 | TP53 (0.93) | — | |
| SCHEMBL464507 | 0.69 | AHR (0.64) | — | |
| Potassium SCHEMBL29653750 | 0.69 | TP53 (0.93) | — | |
| SCHEMBL29624840 | 0.69 | AHR (0.64) | — | |
| SCHEMBL11661765 | 0.69 | TP53 (0.93) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5021573-A | Heterocyclic pigments and dyes | SANDOZ LTD. (CH) | 1991-06-04 | — | — | US | claimed |
| EP-2999338-B1 | KNOWN AND NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES | BAYER CROPSCIENCE AG (DE) | 2017-07-12 | — | — | EP | disclosed |
| US-6713629-B2 | PLANT FUNGICIDE | NIPPON SODA CO., LTD. (JP) | 2004-03-30 | — | — | US | disclosed |
| US-5021573-A | Heterocyclic pigments and dyes | SANDOZ LTD. (CH) | 1991-06-04 | — | — | US | disclosed |