⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23306923 | 0.72 | — | — | |
| SCHEMBL24729166 | 0.72 | — | — | |
| SCHEMBL23747404 | 0.71 | ALDH1A1 (0.40) | — | |
| SCHEMBL25893467 | 0.70 | PTPN1 (0.32) | — | |
| SCHEMBL11204450 | 0.69 | — | — | |
| SCHEMBL18721659 | 0.69 | — | — | |
| SCHEMBL27357633 | 0.68 | — | — | |
| SCHEMBL24972947 | 0.67 | — | — | |
| SCHEMBL20827497 | 0.67 | TSHR (0.38) | — | |
| SCHEMBL21481555 | 0.67 | TSHR (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3150592-B1 | ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF | SHANGHAI EMERALD WELLCARES PHARMACEUTICAL CO LTD (CN) | 2023-08-30 | — | — | EP | disclosed |
| US-10738072-B1 | Nucleotide analogues | Singular Genomics Systems, Inc. (US) | 2020-08-11 | — | — | US | disclosed |