⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10523735 | 1.00 | — | — | |
| SCHEMBL9620342 | 0.87 | — | — | |
| SCHEMBL9620340 | 0.87 | — | — | |
| SCHEMBL9620335 | 0.87 | — | — | |
| SCHEMBL9620236 | 0.80 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL10359238 | 0.75 | ALDH1A1 (0.35) | — | |
| SCHEMBL10360039 | 0.75 | — | — | |
| SCHEMBL10359531 | 0.75 | ALDH1A1 (0.35) | — | |
| SCHEMBL10359184 | 0.74 | TSHR (0.35) | — | |
| SCHEMBL10359185 | 0.74 | TSHR (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-1193251-A | — | — | None | — | — | JP | disclosed |
| JP-H01193251-A | CYCLOHEXANEDIONES AND USE THEREOF | NIPPON NOHYAKU CO LTD | 1989-08-03 | — | — | JP | disclosed |