⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7771462 | 1.00 | — | — | |
| SCHEMBL7769875 | 0.93 | GRIK1 (0.50) | — | |
| SCHEMBL9579082 | 0.85 | — | — | |
| SCHEMBL1262429 | 0.85 | — | — | |
| SCHEMBL3232157 | 0.80 | DPP7 (0.55) | — | |
| SCHEMBL11139795 | 0.79 | SLC1A2 (0.52) | — | |
| SCHEMBL7087413 | 0.78 | — | — | |
| Norleucine SCHEMBL5051846 | 0.78 | SLC1A2 (0.67) | — | |
| SCHEMBL10171694 | 0.78 | — | — | |
| SCHEMBL1798408 | 0.78 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5177094-A | TRIAZOLE COMPOUNDS HAVING ANTIFUNGAL PROPERTIES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-01-05 | — | — | US | disclosed |
| EP-0432717-A2 | Azole compounds, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1991-06-19 | — | — | EP | disclosed |
| EP-0071926-B1 | NEW RIBOFURANURONIC ACID DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS THEREOF | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1986-10-08 | — | — | EP | disclosed |
| US-4479942-A | Tetrahydrofurnancarboxylic acid derivatives, processes for preparation thereof and pharmaceutical compositions thereof | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1984-10-30 | — | — | US | disclosed |
| EP-0071926-A1 | New ribofuranuronic acid derivatives, processes for preparation thereof and pharmaceutical compositions thereof | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1983-02-16 | — | — | EP | disclosed |