⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14038378 | 0.88 | POLRMT (0.31) | — | |
| SCHEMBL13532237 | 0.88 | — | — | |
| SCHEMBL12305478 | 0.78 | — | — | |
| SCHEMBL11924463 | 0.76 | DOT1L (0.30) | — | |
| SCHEMBL14140990 | 0.75 | — | — | |
| SCHEMBL13531949 | 0.70 | HTR1A (0.31) | — | |
| SCHEMBL12306914 | 0.66 | — | — | |
| SCHEMBL10100358 | 0.66 | ADORA2A (0.37) | — | |
| SCHEMBL13531951 | 0.66 | ADORA2A (0.37) | — | |
| SCHEMBL10100412 | 0.66 | — | — |
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-2008089105-A2 | ANTIVIRAL NUCLEOSIDE ANALOGS | BIOCRYST PHARMACEUTICALS, INC. (US) | 2008-07-24 | — | — | WO | disclosed |