⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL585506 | 0.84 | — | — | |
| Ammonia Solution, Strong SCHEMBL584577 | 0.71 | SPNS2 (0.32) | — | |
| SCHEMBL584270 | 0.68 | L3MBTL1 (0.31) | — | |
| SCHEMBL585669 | 0.67 | CYP19A1 (0.43) | — | |
| SCHEMBL27911973 | 0.65 | — | — | |
| SCHEMBL585236 | 0.65 | CASP3 (0.31) | — | |
| SCHEMBL1568989 | 0.64 | PRMT3 (0.36) | — | |
| SCHEMBL584326 | 0.61 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL1971173 | 0.59 | SAT1 (0.35) | — | |
| SCHEMBL1435520 | 0.58 | CYP19A1 (0.41) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110212968-A1 | PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-09-01 | — | — | US | disclosed |
| EP-2334643-A1 | PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES | Actelion Pharmaceuticals Ltd. (CH) | 2011-06-22 | — | — | EP | disclosed |
| WO-2010044054-A1 | PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES | ACTELION PHARMACEUTICALS LTD (CH) | 2010-04-22 | — | — | WO | disclosed |