⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9383946 | 0.70 | CA1 (0.35) | — | |
| SCHEMBL7623449 | 0.67 | — | — | |
| SCHEMBL9421106 | 0.64 | — | — | |
| SCHEMBL9421101 | 0.64 | — | — | |
| SCHEMBL10522276 | 0.62 | CDC25B (0.50) | — | |
| SCHEMBL6479631 | 0.62 | KDM4E (0.35) | — | |
| SCHEMBL9544601 | 0.62 | TRPA1 (0.33) | — | |
| SCHEMBL1235245 | 0.62 | CYP1A2 (0.31) | — | |
| SCHEMBL8988850 | 0.61 | TSHR (0.33) | — | |
| SCHEMBL21217189 | 0.61 | TRPA1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2006514640-A | — | — | 2006-05-11 | — | — | JP | claimed |
| EP-1569899-A2 | SUBSTITUTED 3-ALKYL AND 3-ARYLALKYL i 1H /i -INDOL-1-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) | Wyeth (US) | 2005-09-07 | — | — | EP | claimed |
| WO-2004052853-A2 | SUBSTITUTED 3-ALKYL AND 3-ARYLALKYL 1H-INDOL-1-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) | WYETH (US) | 2004-06-24 | — | — | WO | claimed |