⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6825871 | 0.76 | — | — | |
| SCHEMBL15863338 | 0.66 | — | — | |
| SCHEMBL6130717 | 0.64 | — | — | |
| SCHEMBL13940869 | 0.64 | — | — | |
| SCHEMBL15863491 | 0.63 | CYP4F2 (0.30) | — | |
| SCHEMBL20943372 | 0.63 | DGKA (0.33) | — | |
| SCHEMBL20943386 | 0.63 | DGKA (0.33) | — | |
| SCHEMBL22484728 | 0.62 | — | — | |
| SCHEMBL4189495 | 0.62 | — | — | |
| SCHEMBL18377988 | 0.62 | DUT (0.33) | — |
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-1385526-A2 | 3, 7 OR 3 AND 7 THIA OR OXA PROSTANOIC ACID DERIVATIVES AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE | Allergan, Inc. (US) | 2004-02-04 | — | — | EP | disclosed |
| WO-2002089813-A2 | 3, 7 OR 3 AND 7 THIA OR OXA PROSTANOIC ACID DERIVATIVES AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE | ALLERGAN, INC. (US) | 2002-11-14 | — | — | WO | disclosed |