⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL363440 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL28192824 | 0.95 | — | — | |
| SCHEMBL1444871 | 0.84 | — | — | |
| SCHEMBL9185125 | 0.82 | TSHR (0.63) | — | |
| SCHEMBL5153957 | 0.82 | TSHR (0.58) | — | |
| Ammonia Solution, Strong SCHEMBL17749604 | 0.82 | TSHR (0.58) | — | |
| SCHEMBL12561231 | 0.82 | TSHR (0.44) | — | |
| SCHEMBL12610914 | 0.81 | TSHR (0.44) | — | |
| SCHEMBL15541706 | 0.80 | MAPT (0.57) | — | |
| SCHEMBL22836423 | 0.80 | MAPT (0.57) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1087092-A | Novel 7 beta-substituted-4-aza-5 alpha-androstan-3-ones as 5 alpha-reductase inhibitors | MERCK & CO INC (US) | 1994-05-25 | — | — | CN | disclosed |