⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8743699 | 0.78 | — | — | |
| SCHEMBL9791628 | 0.73 | — | — | |
| SCHEMBL11798360 | 0.72 | CA1 (0.40) | — | |
| SCHEMBL2593852 | 0.72 | TET2 (0.38) | — | |
| SCHEMBL9302609 | 0.71 | — | — | |
| SCHEMBL20379503 | 0.71 | TDP1 (0.30) | — | |
| SCHEMBL5696038 | 0.70 | ALDH1A1 (0.38) | — | |
| SCHEMBL6388808 | 0.70 | — | — | |
| SCHEMBL277812 | 0.70 | GABRP (0.48) | — | |
| SCHEMBL5497610 | 0.70 | CA1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014005854-A1 | METHOD FOR THE PRODUCTION OF ISONONYL DERIVATIVES | OXEA GMBH (DE) | 2014-01-09 | — | — | WO | disclosed |