⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6249438 | 0.76 | — | — | |
| SCHEMBL6247033 | 0.76 | — | — | |
| SCHEMBL29093387 | 0.75 | ESR2 (0.30) | — | |
| Acetone SCHEMBL28873728 | 0.72 | — | — | |
| SCHEMBL8944348 | 0.71 | DDB1 (0.31) | — | |
| SCHEMBL6247864 | 0.70 | MAPT (0.36) | — | |
| SCHEMBL6249751 | 0.70 | CYP19A1 (0.32) | — | |
| SCHEMBL15956735 | 0.70 | — | — | |
| SCHEMBL7418012 | 0.70 | — | — | |
| SCHEMBL27580970 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119661484-A | Tetrahydrophenanthrene-2 (1H) -ketone compound and preparation method and application thereof | 浙江工业大学 | 2025-03-21 | — | — | CN | claimed |
| CN-119661484-A | Tetrahydrophenanthrene-2 (1H) -ketone compound and preparation method and application thereof | 浙江工业大学 | 2025-03-21 | — | — | CN | disclosed |
| WO-2002053522-A2 | NOVEL ESTROGEN RECEPTOR LIGANDS AND METHODS I | KARO BIO AB (SE) | 2002-07-11 | — | — | WO | disclosed |