⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8296257 | 0.95 | EPHX1 (0.33) | — | |
| SCHEMBL6873952 | 0.92 | EPHX1 (0.37) | — | |
| SCHEMBL4675951 | 0.92 | EPHX1 (0.37) | — | |
| SCHEMBL2021417 | 0.92 | EPHX1 (0.37) | — | |
| SCHEMBL5462680 | 0.87 | EPHX1 (0.32) | — | |
| SCHEMBL5720721 | 0.87 | EPHX1 (0.37) | — | |
| SCHEMBL8781239 | 0.83 | — | — | |
| SCHEMBL21753846 | 0.73 | METAP1 (0.37) | — | |
| SCHEMBL6202329 | 0.70 | — | — | |
| SCHEMBL1192596 | 0.70 | — | — |
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-0481311-A2 | Aminoacid derivatives | MERCK PATENT GmbH (DE) | 1992-04-22 | — | — | EP | disclosed |