⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27426628 | 0.78 | — | — | |
| SCHEMBL19987258 | 0.77 | NOS1 (0.33) | — | |
| SCHEMBL18786026 | 0.73 | NOS1 (0.30) | — | |
| SCHEMBL19404273 | 0.72 | — | — | |
| SCHEMBL16116355 | 0.72 | — | — | |
| SCHEMBL16116357 | 0.72 | — | — | |
| SCHEMBL25980987 | 0.69 | — | — | |
| SCHEMBL14307905 | 0.67 | — | — | |
| SCHEMBL27434296 | 0.67 | — | — | |
| SCHEMBL13854508 | 0.67 | — | — |
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-2018049535-A1 | NUCLEOSIDE ANALOGUES AND METHODS OF USE THEREOF | LCB PHARMA INC. (CA) | 2018-03-22 | — | — | WO | disclosed |