⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5579074 | 0.72 | — | — | |
| SCHEMBL7518752 | 0.72 | — | — | |
| SCHEMBL9197292 | 0.69 | — | — | |
| SCHEMBL7443681 | 0.67 | CTSC (0.40) | — | |
| SCHEMBL4599052 | 0.65 | NFKB1 (0.34) | — | |
| SCHEMBL5053530 | 0.65 | NFKB1 (0.34) | — | |
| SCHEMBL4599093 | 0.65 | NFKB1 (0.34) | — | |
| SCHEMBL1627439 | 0.65 | DPP4 (0.42) | — | |
| SCHEMBL8509053 | 0.65 | DPP4 (0.42) | — | |
| SCHEMBL4864801 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5001120-A | Use of A-Nor-steroids as malignant cells growth inhibitors | NATURAL PHARMACIA INTERNATIONAL, INC. (US) | 1991-03-19 | — | — | US | disclosed |