⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6208223 | 0.85 | — | — | |
| SCHEMBL6206731 | 0.73 | ALDH1A1 (0.42) | — | |
| SCHEMBL6208122 | 0.72 | ALOX15 (0.39) | — | |
| SCHEMBL6206729 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL18110352 | 0.70 | TSHR (0.31) | — | |
| SCHEMBL5225784 | 0.68 | TSHR (0.42) | — | |
| SCHEMBL10308597 | 0.68 | TSHR (0.42) | — | |
| SCHEMBL10308714 | 0.64 | TDP1 (0.36) | — | |
| SCHEMBL6207098 | 0.63 | RNPEP (0.32) | — | |
| SCHEMBL8986527 | 0.61 | TP53 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0979244-B1 | NOVEL CYCLOSPORIN DERIVATIVES, PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | AVENTIS PHARMA SA (FR) | 2005-03-02 | — | — | EP | disclosed |