⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4456612 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL28820832 | 0.69 | — | — | |
| SCHEMBL16556503 | 0.67 | — | — | |
| SCHEMBL12487280 | 0.65 | — | — | |
| SCHEMBL592983 | 0.62 | — | — | |
| SCHEMBL9862715 | 0.62 | — | — | |
| SCHEMBL4388709 | 0.60 | — | — | |
| SCHEMBL2190039 | 0.60 | — | — | |
| SCHEMBL10943356 | 0.60 | — | — | |
| SCHEMBL1749985 | 0.60 | — | — |
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-20040220091-A1 | Process for preparation of cyclosporin A analogs | ISOTECHNIKA INC. (CA) | 2004-11-04 | — | — | US | disclosed |