⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL623156 | 0.69 | CA2 (0.39) | — | |
| SCHEMBL1067623 | 0.69 | — | — | |
| SCHEMBL596746 | 0.69 | IDO1 (0.30) | — | |
| SCHEMBL596641 | 0.67 | TRPV4 (0.34) | — | |
| SCHEMBL596731 | 0.67 | — | — | |
| SCHEMBL25220025 | 0.67 | — | — | |
| SCHEMBL352270 | 0.67 | — | — | |
| SCHEMBL2440361 | 0.67 | — | — | |
| SCHEMBL27496178 | 0.67 | — | — | |
| SCHEMBL4171684 | 0.67 | — | — |
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-2225239-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2010-09-08 | — | — | EP | disclosed |
| WO-2009080534-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-07-02 | — | — | WO | disclosed |