⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9900926 | 0.84 | — | — | |
| SCHEMBL1166449 | 0.79 | — | — | |
| SCHEMBL4031429 | 0.76 | DAO (0.35) | — | |
| SCHEMBL1166447 | 0.75 | — | — | |
| SCHEMBL3086180 | 0.74 | CYP1A2 (0.32) | — | |
| SCHEMBL5901217 | 0.72 | PPARG (0.45) | — | |
| SCHEMBL9900516 | 0.72 | CYP1A2 (0.31) | — | |
| SCHEMBL3796522 | 0.67 | CA1 (0.39) | — | |
| SCHEMBL854958 | 0.67 | CYP1A2 (0.30) | — | |
| SCHEMBL4714316 | 0.67 | CYP1A2 (0.35) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2440555-B1 | FLUORINATED AMINOTRIAZOLE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2016-05-18 | — | — | EP | disclosed |
| US-8580831-B2 | Fluorinated aminotriazole derivatives | ACTELION PHARMACEUTICALS LTD. (CH) | 2013-11-12 | — | — | US | disclosed |
| US-20120101138-A1 | FLUORINATED AMINOTRIAZOLE DERIVATIVES | IDORSIA PHARMACEUTICALS LTD (CH) | 2012-04-26 | — | — | US | disclosed |
| EP-2440555-A1 | FLUORINATED AMINOTRIAZOLE DERIVATIVES | Actelion Pharmaceuticals Ltd. (CH) | 2012-04-18 | — | — | EP | disclosed |
| WO-2010143116-A1 | FLUORINATED AMINOTRIAZOLE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2010-12-16 | — | — | WO | disclosed |