⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14627069 | 1.00 | — | — | |
| SCHEMBL17450325 | 0.81 | ACHE (0.31) | — | |
| SCHEMBL14591931 | 0.78 | PIK3CD (0.30) | — | |
| SCHEMBL21142519 | 0.78 | PIK3CD (0.30) | — | |
| SCHEMBL25066083 | 0.78 | PIK3CD (0.30) | — | |
| SCHEMBL21897419 | 0.77 | — | — | |
| SCHEMBL22299163 | 0.72 | ACHE (0.32) | — | |
| SCHEMBL22299304 | 0.72 | ACHE (0.32) | — | |
| SCHEMBL14985729 | 0.72 | ACHE (0.32) | — | |
| SCHEMBL15443394 | 0.72 | ACHE (0.32) | — |
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-20120157404-A1 | ANTIVIRAL COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2012-06-21 | — | — | US | disclosed |