⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2995257 | 0.75 | HSD11B1 (0.32) | — | |
| SCHEMBL17381981 | 0.49 | CYP2D6 (0.33) | — | |
| SCHEMBL21575377 | 0.47 | TSHR (0.30) | — | |
| SCHEMBL8283896 | 0.46 | CYP19A1 (0.44) | — | |
| SCHEMBL24535549 | 0.46 | — | — | |
| SCHEMBL3420125 | 0.46 | KDM4E (0.32) | — | |
| SCHEMBL8280086 | 0.45 | HDAC1 (0.35) | — | |
| SCHEMBL13517497 | 0.45 | ALDH1A1 (0.47) | — | |
| SCHEMBL28388825 | 0.45 | — | — | |
| Benzoquinone SCHEMBL27797301 | 0.45 | TSHR (0.53) | — |
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-2125750-B1 | CYCLIC UREA AND CARBAMATE INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 | VITAE PHARMACEUTICALS INC (US) | 2014-05-21 | — | — | EP | disclosed |