⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6709467 | 1.00 | — | — | |
| SCHEMBL16316794 | 0.79 | — | — | |
| SCHEMBL18225 | 0.79 | — | — | |
| SCHEMBL359717 | 0.79 | — | — | |
| SCHEMBL140867 | 0.77 | — | — | |
| SCHEMBL140866 | 0.77 | — | — | |
| SCHEMBL1764859 | 0.77 | — | — | |
| SCHEMBL17236094 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL1373160 | 0.74 | TSHR (0.52) | — | |
| Methane SCHEMBL5081883 | 0.74 | TSHR (0.52) | — |
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-2004667-B1 | NOVEL 11 BETA - HYDROXYANDROSTA-4-ENE-3-ONES | SUN PHARMA ADVANCED RES CO LTD (IN) | 2013-09-04 | — | — | EP | disclosed |