⚠ 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 SCHEMBL321952 | 0.72 | NOS1 (0.32) | — | |
| Trifluoroacetic Acid SCHEMBL30713586 | 0.70 | SLC1A2 (0.35) | — | |
| Trifluoroacetic Acid SCHEMBL34474305 | 0.68 | APLNR (0.32) | — | |
| Trifluoroacetic Acid SCHEMBL18740355 | 0.67 | SLC1A2 (0.35) | — | |
| Trifluoroacetic Acid SCHEMBL2379719 | 0.67 | DPP4 (0.32) | — | |
| Trifluoroacetic Acid SCHEMBL932054 | 0.67 | PKM (0.30) | — | |
| Trifluoroacetic Acid SCHEMBL31439473 | 0.66 | — | — | |
| Trifluoroacetic Acid SCHEMBL17255283 | 0.65 | — | — | |
| Trifluoroacetic Acid SCHEMBL21590640 | 0.63 | — | — | |
| Trifluoroacetic Acid SCHEMBL9426058 | 0.63 | — | — |
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-2424870-B1 | Therapeutic agents 713 | ASTRAZENECA AB (SE) | 2015-12-16 | — | — | EP | disclosed |