⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13011069 | 0.78 | — | — | |
| SCHEMBL15150593 | 0.74 | — | — | |
| SCHEMBL30763674 | 0.69 | — | — | |
| SCHEMBL21651092 | 0.69 | — | — | |
| SCHEMBL21651148 | 0.68 | IMPDH2 (0.31) | — | |
| SCHEMBL11214881 | 0.66 | — | — | |
| SCHEMBL1937968 | 0.64 | — | — | |
| SCHEMBL15465889 | 0.63 | OAT (0.41) | — | |
| SCHEMBL11229629 | 0.63 | — | — | |
| SCHEMBL6134619 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013039985-A2 | SERINE PROTEASE INHIBITORS | THE JOHNS HOPKINS UNIVERSITY (US) | 2013-03-21 | — | — | WO | disclosed |