⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9042325 | 1.00 | — | — | |
| SCHEMBL7594285 | 0.65 | — | — | |
| SCHEMBL10668483 | 0.64 | — | — | |
| SCHEMBL9638382 | 0.64 | — | — | |
| SCHEMBL933668 | 0.63 | CA1 (0.31) | — | |
| SCHEMBL1554143 | 0.63 | CA1 (0.31) | — | |
| SCHEMBL2936710 | 0.63 | CA1 (0.31) | — | |
| SCHEMBL8644323 | 0.63 | CA1 (0.31) | — | |
| SCHEMBL8932121 | 0.63 | CA1 (0.31) | — | |
| Water SCHEMBL16551673 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0535448-B1 | Process and intermediates for the preparation of an antiviral agent containing a cyclobutyl group | SQUIBB & SONS INC (US) | 1996-06-26 | — | — | EP | claimed |