⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1488407 | 0.91 | — | — | |
| Propyne SCHEMBL1123609 | 0.73 | — | — | |
| SCHEMBL28707935 | 0.67 | — | — | |
| SCHEMBL8937180 | 0.65 | — | — | |
| SCHEMBL1488406 | 0.63 | — | — | |
| SCHEMBL479170 | 0.63 | — | — | |
| SCHEMBL22960423 | 0.61 | — | — | |
| Propyne SCHEMBL9522893 | 0.59 | — | — | |
| Propyne SCHEMBL1330783 | 0.59 | — | — | |
| Propyne SCHEMBL521923 | 0.59 | — | — |
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-0819000-B1 | NODULISPORIC ACID DERIVATIVES | MERCK & CO INC (US) | 2009-07-08 | — | — | EP | disclosed |