⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2418512 | 0.82 | GABRP (0.42) | — | |
| SCHEMBL8302686 | 0.81 | DYRK1A (0.35) | — | |
| SCHEMBL8399379 | 0.79 | NOTUM (0.36) | — | |
| SCHEMBL8339081 | 0.77 | KIF11 (0.41) | — | |
| SCHEMBL8552473 | 0.76 | — | — | |
| SCHEMBL8024919 | 0.70 | PRKACA (0.30) | — | |
| Ammonia Solution, Strong SCHEMBL7749674 | 0.70 | NOTUM (0.32) | — | |
| SCHEMBL8306293 | 0.70 | MEN1 (0.39) | — | |
| SCHEMBL364961 | 0.68 | — | — | |
| SCHEMBL7715600 | 0.67 | GABRP (0.53) | — |
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-0871617-A1 | PARASITICIDAL COMPOUNDS | PFIZER INC. (US) | 1998-10-21 | — | — | EP | disclosed |
| WO-1997007102-A1 | PARASITICIDAL COMPOUNDS | PFIZER INC (US) | 1997-02-27 | — | — | WO | disclosed |