⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8186194 | 1.00 | — | — | |
| SCHEMBL8815242 | 0.93 | — | — | |
| SCHEMBL8817101 | 0.93 | — | — | |
| SCHEMBL8815236 | 0.93 | — | — | |
| SCHEMBL8817093 | 0.93 | — | — | |
| SCHEMBL8817339 | 0.91 | — | — | |
| SCHEMBL8817345 | 0.91 | — | — | |
| SCHEMBL9780798 | 0.91 | — | — | |
| SCHEMBL9780786 | 0.91 | — | — | |
| SCHEMBL8816669 | 0.91 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1997006178-A1 | PYRIMIDINE NUCLEOSIDES | F. HOFFMANN-LA ROCHE AG (CH) | 1997-02-20 | — | — | WO | claimed |
| US-6162918-A | Xanthene and acridine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2000-12-19 | — | — | US | disclosed |
| US-5969139-A | INHIBITORS OF HERPES SIMPLEX VIRUS THYMIDINE KINASE | HOFFMANN-LA ROCHE INC. (US) | 1999-10-19 | — | — | US | disclosed |
| EP-0823426-A1 | Xanthene and acridine derivatives and their use | F. HOFFMANN-LA ROCHE AG (CH) | 1998-02-11 | — | — | EP | disclosed |
| WO-1997006178-A1 | PYRIMIDINE NUCLEOSIDES | F. HOFFMANN-LA ROCHE AG (CH) | 1997-02-20 | — | — | WO | disclosed |