⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9929411 | 0.75 | DAO (0.60) | — | |
| SCHEMBL5153594 | 0.73 | — | — | |
| SCHEMBL71474 | 0.73 | DAO (0.58) | — | |
| SCHEMBL4060825 | 0.71 | — | — | |
| SCHEMBL18701716 | 0.71 | — | — | |
| SCHEMBL940660 | 0.71 | — | — | |
| SCHEMBL14465896 | 0.71 | — | — | |
| SCHEMBL131280 | 0.71 | — | — | |
| SCHEMBL131281 | 0.71 | — | — | |
| SCHEMBL568600 | 0.71 | — | — |
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-2010009155-A2 | FUSED HETEROCYCLYC INHIBITOR COMPOUNDS | GILEAD COLORADO, INC. (US) | 2010-01-21 | — | — | WO | disclosed |