⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19145053 | 0.78 | — | — | |
| SCHEMBL1505700 | 0.76 | — | — | |
| SCHEMBL1628917 | 0.76 | — | — | |
| SCHEMBL178475 | 0.76 | — | — | |
| SCHEMBL8350573 | 0.74 | MC4R (0.44) | — | |
| SCHEMBL2717162 | 0.73 | — | — | |
| SCHEMBL13123466 | 0.73 | — | — | |
| SCHEMBL454948 | 0.71 | HPGD (0.53) | — | |
| SCHEMBL2000144 | 0.71 | — | — | |
| SCHEMBL5144881 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011029547-A2 | PREGNANE DERIVATIVES CONDENSED IN THE 16, 17 POSITION WITH AN N-SUBSTITUTED ISOXAZOLIDINE RING AS ANTI-INFLAMMATORY AGENTS | CHIESI FARMACEUTICI S.P.A. (IT) | 2011-03-17 | — | — | WO | disclosed |