⚠ 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL2378815 | 0.77 | — | — | |
| Trifluoroacetic Acid SCHEMBL34474305 | 0.75 | APLNR (0.32) | — | |
| Trifluoroacetic Acid SCHEMBL29187324 | 0.73 | KDM1A (0.37) | — | |
| Trifluoroacetic Acid SCHEMBL932054 | 0.73 | PKM (0.30) | — | |
| Trifluoroacetic Acid SCHEMBL30713548 | 0.72 | — | — | |
| Trifluoroacetic Acid SCHEMBL2379719 | 0.72 | DPP4 (0.32) | — | |
| Trifluoroacetic Acid SCHEMBL23119996 | 0.71 | PIM1 (0.30) | — | |
| Trifluoroacetic Acid SCHEMBL38657729 | 0.69 | ALDH1A1 (0.32) | — | |
| Trifluoroacetic Acid SCHEMBL31439473 | 0.68 | — | — | |
| Trifluoroacetic Acid SCHEMBL23043751 | 0.68 | ALDH1A1 (0.47) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20250221996-A1 | HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH | BEIGENE, LTD. (KY) | 2025-07-10 | — | — | US | disclosed |
| EP-4551574-A1 | HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH | BeiGene, Ltd. (KY) | 2025-05-14 | — | — | EP | disclosed |
| CN-119487028-A | Heterocyclic compounds, compositions thereof and methods of treatment therewith | 百济神州有限公司 | 2025-02-18 | — | — | CN | disclosed |
| WO-2024008179-A1 | HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH | BEIGENE, LTD. (KY) | 2024-01-11 | — | — | WO | disclosed |