⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13811289 | 0.84 | — | — | |
| SCHEMBL27530343 | 0.84 | — | — | |
| SCHEMBL21653982 | 0.81 | NPC1 (0.48) | — | |
| SCHEMBL3018450 | 0.80 | — | — | |
| SCHEMBL3018447 | 0.80 | — | — | |
| SCHEMBL5442835 | 0.77 | NPC1 (0.48) | — | |
| SCHEMBL18652002 | 0.77 | NPC1 (0.48) | — | |
| SCHEMBL5442837 | 0.77 | NPC1 (0.48) | — | |
| SCHEMBL18026779 | 0.77 | NPC1 (0.48) | — | |
| SCHEMBL14605006 | 0.77 | NPC1 (0.48) | — |
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-2007102679-A1 | NOVEL THIENOPYRIMIDINE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | JE IL PHARMACEUTICAL CO., LTD. (KR) | 2007-09-13 | — | — | WO | disclosed |