⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21088139 | 0.58 | — | — | |
| SCHEMBL22011730 | 0.58 | — | — | |
| SCHEMBL7829463 | 0.55 | — | — | |
| SCHEMBL15870591 | 0.55 | ABCG2 (0.30) | — | |
| SCHEMBL20787073 | 0.53 | — | — | |
| SCHEMBL126011 | 0.51 | — | — | |
| SCHEMBL318474 | 0.51 | — | — | |
| SCHEMBL15372425 | 0.51 | — | — | |
| SCHEMBL655806 | 0.50 | — | — | |
| SCHEMBL8711 | 0.41 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4097138-A1 | ASGPR-BINDING COMPOUNDS FOR THE DEGRADATION OF EXTRACELLULAR PROTEINS | Avila Therapeutics, Inc. (US) | 2022-12-07 | — | — | EP | disclosed |
| CN-114716453-A | Macrocyclization reactions and intermediates useful in the synthesis of analogs of halichondrin B | 卫材R&D管理有限公司 | 2022-07-08 | — | — | CN | disclosed |
| CN-109942560-B | Macrocyclization reactions and intermediates useful in the synthesis of analogs of halichondrin B | 卫材R&D管理有限公司 | 2022-06-17 | — | — | CN | disclosed |