⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13593528 | 1.00 | — | — | |
| SCHEMBL13595177 | 0.80 | — | — | |
| SCHEMBL10433083 | 0.80 | — | — | |
| SCHEMBL10139309 | 0.80 | — | — | |
| SCHEMBL12597887 | 0.80 | — | — | |
| SCHEMBL7802027 | 0.69 | — | — | |
| SCHEMBL1853681 | 0.69 | — | — | |
| SCHEMBL11792052 | 0.69 | POLB (0.39) | — | |
| SCHEMBL13811273 | 0.69 | — | — | |
| SCHEMBL6575558 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017167183-A1 | DIARYL-Β-LACTAM COMPOUND AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF | 复旦大学 | 2017-10-05 | — | — | WO | disclosed |