⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9923731 | 0.57 | KMT2A (0.42) | — | |
| Hydrochloric Acid SCHEMBL2443920 | 0.47 | — | — | |
| SCHEMBL14502429 | 0.46 | — | — | |
| SCHEMBL20523017 | 0.46 | — | — | |
| SCHEMBL28963841 | 0.46 | — | — | |
| SCHEMBL24282441 | 0.45 | — | — | |
| SCHEMBL20523102 | 0.45 | — | — | |
| SCHEMBL13656869 | 0.43 | — | — | |
| SCHEMBL5094102 | 0.43 | KCNA5 (0.35) | — | |
| Hydrochloric Acid SCHEMBL5337159 | 0.43 | CA12 (0.42) | — |
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-2011044184-A1 | PENTAFLUOROSULFUR IMINO HETEROCYCLIC COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE | SCHERING CORPORATION (US) | 2011-04-14 | — | — | WO | disclosed |