⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL135026 | 0.78 | — | — | |
| SCHEMBL22754161 | 0.78 | — | — | |
| SCHEMBL15180436 | 0.73 | — | — | |
| SCHEMBL20887505 | 0.69 | PDXK (0.37) | — | |
| SCHEMBL11985903 | 0.67 | — | — | |
| SCHEMBL25966881 | 0.67 | — | — | |
| SCHEMBL31175983 | 0.67 | — | — | |
| SCHEMBL10176196 | 0.67 | — | — | |
| SCHEMBL5643512 | 0.67 | — | — | |
| SCHEMBL12915143 | 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-2250165-B1 | TRIAZOLE OXADIAZOLES DERIVATIVES | MERCK SERONO SA (CH) | 2018-07-25 | — | — | EP | disclosed |
| WO-2009142967-A1 | THERAPEUTIC PROSTAGLANDIN COMPOUNDS USED AS OCULAR HYPOTENSIVE AGENTS | ALLERGAN, INC. (US) | 2009-11-26 | — | — | WO | disclosed |