⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10073196 | 0.75 | BIRC2 (0.36) | — | |
| SCHEMBL753889 | 0.75 | BIRC2 (0.36) | — | |
| SCHEMBL24721053 | 0.73 | — | — | |
| SCHEMBL24952558 | 0.69 | CCR2 (0.33) | — | |
| SCHEMBL16440917 | 0.68 | MAPT (0.45) | — | |
| SCHEMBL6299912 | 0.64 | — | — | |
| SCHEMBL22102118 | 0.64 | — | — | |
| SCHEMBL6299911 | 0.64 | — | — | |
| SCHEMBL405690 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL29469830 | 0.62 | — | — |
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-7432268-B2 | 17β-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases | SCHERING CORPORATION (US) | 2008-10-07 | — | — | US | disclosed |