⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29050893 | 0.79 | — | — | |
| SCHEMBL8990638 | 0.71 | — | — | |
| SCHEMBL5026214 | 0.71 | — | — | |
| SCHEMBL3621823 | 0.65 | TSHR (0.30) | — | |
| SCHEMBL15347750 | 0.63 | AKR1B1 (0.38) | — | |
| SCHEMBL15661694 | 0.62 | — | — | |
| SCHEMBL4294983 | 0.60 | TSHR (0.36) | — | |
| SCHEMBL4454697 | 0.60 | TSHR (0.33) | — | |
| SCHEMBL1040252 | 0.58 | — | — | |
| SCHEMBL10278787 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2367813-A1 | ANTIVIRAL COMPOUNDS | Gilead Sciences, Inc. (US) | 2011-09-28 | — | — | EP | claimed |
| WO-2010075127-A1 | ANTIVIRAL COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2010-07-01 | — | — | WO | claimed |