⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17145967 | 0.72 | UGT2B7 (0.34) | — | |
| SCHEMBL3001348 | 0.71 | UGT2B7 (0.64) | — | |
| SCHEMBL958827 | 0.67 | CA1 (0.31) | — | |
| SCHEMBL4608681 | 0.67 | CA1 (0.31) | — | |
| SCHEMBL958781 | 0.67 | CA1 (0.31) | — | |
| SCHEMBL1276250 | 0.67 | CA1 (0.31) | — | |
| SCHEMBL8204015 | 0.67 | CA1 (0.31) | — | |
| SCHEMBL20930020 | 0.67 | CA1 (0.31) | — | |
| SCHEMBL20930152 | 0.67 | CA1 (0.31) | — | |
| SCHEMBL10152486 | 0.65 | CDC25A (0.43) | — |
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-0421752-A2 | Substituted acrylamido-penicillanic acid derivatives | Beecham Group p.l.c. (GB) | 1991-04-10 | — | — | EP | disclosed |