⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL254939 | 0.85 | SHBG (0.31) | — | |
| SCHEMBL14451196 | 0.81 | — | — | |
| Ammonia Solution, Strong SCHEMBL6014599 | 0.77 | — | — | |
| SCHEMBL6014595 | 0.76 | DPP4 (0.33) | — | |
| SCHEMBL22100267 | 0.74 | HCRTR2 (0.31) | — | |
| SCHEMBL6014597 | 0.73 | — | — | |
| SCHEMBL2754726 | 0.72 | — | — | |
| SCHEMBL18552665 | 0.71 | SHBG (0.32) | — | |
| Ammonia Solution, Strong SCHEMBL8078560 | 0.70 | — | — | |
| SCHEMBL23638331 | 0.70 | MCHR1 (0.33) | — |
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-9676763-B2 | Method of treating Ebola | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2017-06-13 | — | — | US | disclosed |