⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14991399 | 0.81 | ALDH1A1 (0.38) | — | |
| SCHEMBL19442152 | 0.80 | — | — | |
| SCHEMBL709217 | 0.79 | — | — | |
| SCHEMBL4441378 | 0.79 | TSHR (0.35) | — | |
| SCHEMBL42755 | 0.75 | — | — | |
| SCHEMBL30357063 | 0.75 | ALOX15 (0.50) | — | |
| SCHEMBL11654179 | 0.73 | — | — | |
| SCHEMBL6039939 | 0.73 | — | — | |
| SCHEMBL1767195 | 0.73 | — | — | |
| SCHEMBL10000492 | 0.73 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113574055-A | PCSK9 inhibitors and methods of use thereof | 阿斯利康(瑞典)有限公司 | 2021-10-29 | — | — | CN | disclosed |
| CN-113412258-A | PCSK9 inhibitors and methods of use thereof | 阿斯利康(瑞典)有限公司 | 2021-09-17 | — | — | CN | disclosed |