⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1381231 | 0.88 | CYP19A1 (0.36) | — | |
| SCHEMBL1182537 | 0.75 | CYP19A1 (0.33) | — | |
| SCHEMBL2691519 | 0.74 | — | — | |
| SCHEMBL20548184 | 0.72 | — | — | |
| SCHEMBL19784615 | 0.72 | — | — | |
| SCHEMBL11832757 | 0.72 | — | — | |
| SCHEMBL823033 | 0.72 | — | — | |
| SCHEMBL23369354 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL8674528 | 0.70 | MEN1 (0.30) | — | |
| SCHEMBL25192445 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-114222737-A | Small molecule inhibitor of NF-kB induced kinase | 詹森药业有限公司 | 2022-03-22 | — | — | CN | disclosed |
| EP-1858592-A2 | TREATMENT OF INFLAMMATORY BOWEL DISEASE | Allergan, Inc. (US) | 2007-11-28 | — | — | EP | disclosed |
| WO-2006101867-A2 | TREATMENT OF INFLAMMATORY BOWEL DISEASE | ALLERGAN, INC. (US) | 2006-09-28 | — | — | WO | disclosed |
| EP-1608309-A2 | 10,10-DIALKYL PROSTANOIC ACID DERIVATIVES AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE | Allergan, Inc. (US) | 2005-12-28 | — | — | EP | disclosed |
| WO-2004071428-A2 | 10,10-DIALKYL PROSTANOIC ACID DERIVATIVES AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE | ALLERGAN, INC. (US) | 2004-08-26 | — | — | WO | disclosed |