⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7082616 | 0.71 | — | — | |
| SCHEMBL26918654 | 0.69 | — | — | |
| SCHEMBL10831481 | 0.64 | LMNA (0.32) | — | |
| SCHEMBL15826320 | 0.64 | — | — | |
| SCHEMBL6714909 | 0.62 | — | — | |
| SCHEMBL1887209 | 0.62 | — | — | |
| SCHEMBL5334566 | 0.62 | — | — | |
| SCHEMBL11317421 | 0.61 | TSHR (0.34) | — | |
| SCHEMBL2641144 | 0.60 | — | — | |
| Ammonia Solution, Strong SCHEMBL29002045 | 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 |
|---|---|---|---|---|---|---|---|
| CN-1571795-A | Synthesis of cyclosporin analogs | ISOTECHNIKA INC (CA) | 2005-01-26 | — | — | CN | claimed |