⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17768521 | 0.62 | — | — | |
| SCHEMBL4506588 | 0.62 | — | — | |
| SCHEMBL3027178 | 0.62 | — | — | |
| SCHEMBL17878151 | 0.60 | — | — | |
| SCHEMBL6587741 | 0.60 | — | — | |
| SCHEMBL1299933 | 0.54 | — | — | |
| SCHEMBL23094146 | 0.53 | — | — | |
| SCHEMBL6828333 | 0.53 | — | — | |
| SCHEMBL10077699 | 0.45 | — | — | |
| SCHEMBL1703765 | 0.45 | PLG (0.55) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6362181-B1 | BACTERICIDES; ENZYME INHIBITORS; ANTITUMOR AGENTS | WARNER-LAMBERT COMPANY | 2002-03-26 | — | — | US | disclosed |