⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31174412 | 0.75 | CYP2A6 (0.68) | — | |
| SCHEMBL3754419 | 0.75 | CYP2A6 (0.68) | — | |
| SCHEMBL3816388 | 0.73 | NNMT (0.48) | — | |
| SCHEMBL12602 | 0.73 | — | — | |
| SCHEMBL8171595 | 0.73 | NNMT (0.44) | — | |
| SCHEMBL113293 | 0.71 | — | — | |
| SCHEMBL10212745 | 0.71 | — | — | |
| SCHEMBL130166 | 0.71 | — | — | |
| SCHEMBL125509 | 0.71 | — | — | |
| SCHEMBL2642988 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1554239-A2 | SULFONYLAMINO-ACETIC ACID DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2005-07-20 | — | — | EP | disclosed |
| WO-2004033418-A2 | SULFONYLAMINO-ACETIC DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD. (CH) | 2004-04-22 | — | — | WO | disclosed |
| WO-1998028311-A1 | PHARMACEUTICAL AMINOPHOSPHONIC ACID DERIVATIVES | SYMPHAR S.A. (CH) | 1998-07-02 | — | — | WO | disclosed |