⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25234659 | 0.57 | — | — | |
| SCHEMBL25249807 | 0.56 | — | — | |
| SCHEMBL7009809 | 0.53 | — | — | |
| SCHEMBL4110731 | 0.53 | — | — | |
| SCHEMBL25260428 | 0.53 | — | — | |
| SCHEMBL19346106 | 0.50 | — | — | |
| SCHEMBL12704866 | 0.50 | — | — | |
| SCHEMBL6124170 | 0.49 | — | — | |
| SCHEMBL21374382 | 0.46 | — | — | |
| SCHEMBL1651586 | 0.46 | — | — |
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-8796299-B2 | NK1 antagonists | OPKO HEALTH, INC. (US) | 2014-08-05 | — | — | US | disclosed |