⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19559438 | 0.97 | SHBG (0.44) | — | |
| SCHEMBL6584289 | 0.88 | — | — | |
| SCHEMBL25568097 | 0.84 | SHBG (0.37) | — | |
| SCHEMBL24745944 | 0.82 | SHBG (0.32) | — | |
| SCHEMBL14536238 | 0.80 | SHBG (0.34) | — | |
| SCHEMBL17241542 | 0.79 | — | — | |
| SCHEMBL10767063 | 0.77 | — | — | |
| SCHEMBL24574143 | 0.77 | HDAC1 (0.38) | — | |
| SCHEMBL135096 | 0.76 | SHBG (0.44) | — | |
| SCHEMBL748900 | 0.74 | SHBG (0.48) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4180672-A | 2-Organothio-2-cyclopentenones, organothio-cyclopentanes derived therefrom | TEIJIN LIMITED (JP) | 1979-12-25 | — | — | US | disclosed |