⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8130878 | 0.80 | CYP2C9 (0.32) | — | |
| SCHEMBL8143157 | 0.80 | CYP2C9 (0.32) | — | |
| SCHEMBL14087164 | 0.69 | EPHX1 (0.37) | — | |
| SCHEMBL8150070 | 0.67 | — | — | |
| SCHEMBL8147787 | 0.66 | ALOX5 (0.38) | — | |
| SCHEMBL8131267 | 0.65 | — | — | |
| SCHEMBL15483929 | 0.65 | — | — | |
| SCHEMBL24754202 | 0.64 | — | — | |
| SCHEMBL7937029 | 0.64 | — | — | |
| SCHEMBL18771386 | 0.64 | — | — |
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-2009005677-A2 | ANTIVIRAL COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2009-01-08 | — | — | WO | disclosed |