⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12373111 | 0.95 | — | — | |
| SCHEMBL12373128 | 0.94 | SLC5A2 (0.31) | — | |
| SCHEMBL13338350 | 0.92 | SLC5A2 (0.32) | — | |
| SCHEMBL12373105 | 0.86 | MAP3K5 (0.34) | — | |
| SCHEMBL13338353 | 0.86 | MAP3K5 (0.34) | — | |
| SCHEMBL14217406 | 0.84 | SLC5A2 (0.34) | — | |
| SCHEMBL12373107 | 0.83 | — | — | |
| SCHEMBL13338343 | 0.83 | — | — | |
| SCHEMBL14217404 | 0.81 | SLC5A2 (0.34) | — | |
| SCHEMBL12373130 | 0.80 | HTRA2 (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7998706-B2 | Pyrimidine nucleobases | APPLIED BIOSYSTEMS, LLC (US) | 2011-08-16 | — | — | US | disclosed |
| US-20100113759-A1 | PROPARGYL SUBSTITUTED NUCLEOSIDE COMPOUNDS AND METHODS | Life Technologies Corporation (US) | 2010-05-06 | — | — | US | disclosed |