⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4997664 | 0.75 | — | — | |
| SCHEMBL11278438 | 0.73 | — | — | |
| SCHEMBL15462250 | 0.71 | — | — | |
| SCHEMBL11364619 | 0.71 | — | — | |
| SCHEMBL3705235 | 0.71 | — | — | |
| SCHEMBL1862861 | 0.69 | ALDH1A1 (0.32) | — | |
| Iodide SCHEMBL9836761 | 0.69 | — | — | |
| SCHEMBL15009710 | 0.67 | DGAT1 (0.34) | — | |
| SCHEMBL13219908 | 0.67 | — | — | |
| SCHEMBL15866679 | 0.67 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210371403-A1 | SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS | JNANA THERAPEUTICS INC. | 2021-12-02 | — | — | US | disclosed |
| US-20210299070-A1 | METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY | JNANA THERAPEUTICS INC. | 2021-09-30 | — | — | US | disclosed |
| WO-1996026939-A1 | CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-09-06 | — | — | WO | disclosed |
| EP-0359537-B1 | Benzopyran derivatives with antihypertensive activity | BEECHAM GROUP PLC (GB) | 1996-06-26 | — | — | EP | disclosed |
| US-5053427-A | GUANIDINO-SUBSTITUTED BENZOPYRANS AND THEIR USE AS PHARMACEUTICALS | BEECHAM GROUP P.L.C. (GB) | 1991-10-01 | — | — | US | disclosed |
| EP-0359537-A1 | Benzopyran derivatives with antihypertensive activity | BEECHAM GROUP PLC (GB) | 1990-03-21 | — | — | EP | disclosed |