⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9285617 | 0.57 | — | — | |
| SCHEMBL34344 | 0.55 | — | — | |
| SCHEMBL16197636 | 0.55 | LMNA (0.47) | — | |
| SCHEMBL23929064 | 0.54 | ESR2 (0.39) | — | |
| SCHEMBL9275526 | 0.53 | — | — | |
| SCHEMBL9496 | 0.53 | — | — | |
| SCHEMBL5071187 | 0.53 | — | — | |
| SCHEMBL1262952 | 0.53 | — | — | |
| SCHEMBL8772039 | 0.53 | — | — | |
| SCHEMBL4068282 | 0.53 | — | — |
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-3409766-B1 | AN ESTERASE THAT IS CAPABLE OF CONVERTING IRIDOIDS AND SECO-IRIDOIDS | N ZYME BIOTEC GMBH (DE) | 2022-03-09 | — | — | EP | disclosed |