⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1937010 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL720506 | 0.73 | FAAH (0.42) | — | |
| SCHEMBL20910881 | 0.71 | AKR1C3 (0.52) | — | |
| SCHEMBL2338261 | 0.67 | — | — | |
| SCHEMBL1101541 | 0.67 | — | — | |
| SCHEMBL1937009 | 0.67 | — | — | |
| SCHEMBL28295904 | 0.67 | — | — | |
| SCHEMBL429044 | 0.67 | — | — | |
| SCHEMBL1127327 | 0.67 | — | — | |
| SCHEMBL983745 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3768675-A1 | NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME | Yuhan Corporation (KR) | 2021-01-27 | — | — | EP | disclosed |
| WO-2019180646-A1 | NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME | YUHAN CORPORATION (KR) | 2019-09-26 | — | — | WO | disclosed |