⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15094764 | 0.73 | — | — | |
| SCHEMBL9576805 | 0.64 | — | — | |
| SCHEMBL28849205 | 0.59 | — | — | |
| SCHEMBL10033614 | 0.59 | — | — | |
| SCHEMBL8657190 | 0.57 | — | — | |
| SCHEMBL8610414 | 0.57 | — | — | |
| SCHEMBL406700 | 0.55 | CYP3A4 (0.70) | — | |
| SCHEMBL30194501 | 0.55 | CYP3A4 (0.70) | — | |
| SCHEMBL3275794 | 0.55 | — | — | |
| SCHEMBL19359843 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008144602-A1 | DEUTERATED ZAMIFENACIN DERIVATIVES | AUSPEX PHARMACEUTICALS, INC. (US) | 2008-11-27 | — | — | WO | disclosed |
| EP-1390337-A1 | PRECURSORS FOR KETONES AND ALDEHYDES | Givaudan SA (CH) | 2004-02-25 | — | — | EP | disclosed |
| WO-2002096850-A1 | PRECURSORS FOR KETONES AND ALDEHYDES | GIVAUDAN SA (CH) | 2002-12-05 | — | — | WO | disclosed |
| EP-0805796-A1 | CELL ADHESION INHIBITORS | BIOGEN, INC. (US) | 1997-11-12 | — | — | EP | disclosed |
| WO-1996022966-A1 | CELL ADHESION INHIBITORS | BIOGEN, INC. (US) | 1996-08-01 | — | — | WO | disclosed |