⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30344962 | 0.67 | — | — | |
| SCHEMBL6577421 | 0.67 | — | — | |
| SCHEMBL30172503 | 0.67 | — | — | |
| SCHEMBL17441373 | 0.67 | — | — | |
| SCHEMBL5074259 | 0.63 | — | — | |
| SCHEMBL12183514 | 0.62 | — | — | |
| SCHEMBL7420846 | 0.62 | — | — | |
| SCHEMBL9706974 | 0.62 | — | — | |
| SCHEMBL918875 | 0.62 | — | — | |
| SCHEMBL2496563 | 0.60 | TYMP (0.38) | — |
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-108701171-B | Pharmacophores, compounds and methods having application in the treatment of cancer by inhibition of CYP17a1 and CYP19a1 | 马古苏托科技大学 | 2022-06-10 | — | — | CN | disclosed |
| CN-108779085-B | Pharmacophores, compounds and methods having application in the treatment of cancer by inhibition of CYP17a1 and CYP19a1 | 马古苏托科技大学 | 2022-03-22 | — | — | CN | disclosed |