⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10761528 | 0.77 | TLR4 (0.34) | — | |
| SCHEMBL9837647 | 0.75 | NPC1 (0.33) | — | |
| SCHEMBL511158 | 0.70 | — | — | |
| SCHEMBL9836014 | 0.69 | ALDH1A1 (0.54) | — | |
| SCHEMBL9854226 | 0.66 | CA1 (0.37) | — | |
| SCHEMBL14648598 | 0.64 | CA1 (0.32) | — | |
| SCHEMBL22305126 | 0.63 | CA1 (0.34) | — | |
| SCHEMBL4435103 | 0.59 | — | — | |
| SCHEMBL15962414 | 0.57 | CA1 (0.33) | — | |
| SCHEMBL1171870 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0261674-B1 | A CYCLOHEXANEDIONE DERIVATIVE AND A PROCESS FOR PRODUCING THE SAME | NIHON NOHYAKU CO., LTD. (JP) | 1991-06-12 | — | — | EP | disclosed |
| US-4863925-A | SUBSTITUTED | NIHON NOHYAKU CO., LTD. (JP) | 1989-09-05 | — | — | US | disclosed |
| EP-0261674-A1 | A cyclohexanedione derivative and a process for producing the same | NIHON NOHYAKU CO., LTD. (JP) | 1988-03-30 | — | — | EP | disclosed |
| US-4668799-A | Anti-hepatitis and anti-cirrhotic 1,3-dithiol-2-ylidene derivatives, and pharmaceutical compositions therefor | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1987-05-26 | — | — | US | disclosed |
| EP-0210284-A1 | 1,3-Dithiol-2-ylidene derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1987-02-04 | — | — | EP | disclosed |