⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL281979 | 0.81 | — | — | |
| SCHEMBL154710 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL940187 | 0.79 | MAPT (0.50) | — | |
| SCHEMBL2225907 | 0.79 | — | — | |
| SCHEMBL5424332 | 0.79 | — | — | |
| SCHEMBL155500 | 0.79 | — | — | |
| Hydrazine SCHEMBL27615552 | 0.77 | MAPT (0.49) | — | |
| SCHEMBL5215746 | 0.77 | MAPT (0.49) | — | |
| SCHEMBL1859781 | 0.77 | GAA (0.69) | — | |
| SCHEMBL28361011 | 0.76 | MAPT (0.47) | — |
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-2067784-A2 | 17.beta.-carbothioate 17.alpha.-arylcarbonyloxyloxy androstane derivates as anti-flammatory agents | Glaxo Group Limited (GB) | 2009-06-10 | — | — | EP | disclosed |