⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26324169 | 0.78 | — | — | |
| SCHEMBL10924911 | 0.76 | — | — | |
| SCHEMBL25614204 | 0.76 | HSD17B10 (0.30) | — | |
| SCHEMBL24283159 | 0.74 | — | — | |
| SCHEMBL21250723 | 0.74 | — | — | |
| SCHEMBL28909477 | 0.73 | — | — | |
| SCHEMBL13397297 | 0.72 | — | — | |
| SCHEMBL9015315 | 0.72 | S1PR2 (0.39) | — | |
| SCHEMBL12751874 | 0.72 | MAOB (0.32) | — | |
| SCHEMBL23675949 | 0.72 | — | — |
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-3725792-A1 | PREPARATION FOR NATURAL PRODUCT TRABECTEDIN | CE Pharm Co.,Ltd (CN) | 2020-10-21 | — | — | EP | disclosed |