⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7788641 | 0.82 | — | — | |
| SCHEMBL19846890 | 0.73 | SIGMAR1 (0.39) | — | |
| SCHEMBL13624572 | 0.73 | SIGMAR1 (0.39) | — | |
| SCHEMBL58831 | 0.73 | — | — | |
| SCHEMBL11045265 | 0.73 | — | — | |
| SCHEMBL23319707 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL6012070 | 0.71 | — | — | |
| SCHEMBL6975453 | 0.71 | — | — | |
| SCHEMBL27362251 | 0.71 | — | — | |
| SCHEMBL7578261 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1040121-A1 | NOVEL METHOD FOR PREPARING CYLOSPORIN DERIVATIVES | Aventis Pharma (FR) | 2000-10-04 | — | — | EP | disclosed |
| WO-1999032512-A1 | NOVEL METHOD FOR PREPARING CYLOSPORIN DERIVATIVES | AVENTIS PHARMA (FR) | 1999-07-01 | — | — | WO | disclosed |