⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8272953 | 1.00 | — | — | |
| SCHEMBL14087163 | 1.00 | — | — | |
| SCHEMBL19004670 | 1.00 | — | — | |
| SCHEMBL12042198 | 1.00 | — | — | |
| SCHEMBL8126487 | 1.00 | — | — | |
| SCHEMBL13551736 | 0.88 | CHRNB2 (0.36) | — | |
| SCHEMBL16940974 | 0.86 | MMP2 (0.38) | — | |
| SCHEMBL13743673 | 0.84 | CHRM2 (0.42) | — | |
| SCHEMBL12054901 | 0.83 | HTT (0.39) | — | |
| SCHEMBL8147761 | 0.83 | HTT (0.39) | — |
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-2009005676-A2 | ANTIVIRAL COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2009-01-08 | — | — | WO | disclosed |