⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30399875 | 0.78 | — | — | |
| SCHEMBL10455709 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL321362 | 0.73 | ALDH1A1 (0.30) | — | |
| SCHEMBL7863376 | 0.73 | CES1 (0.32) | — | |
| SCHEMBL217063 | 0.73 | — | — | |
| SCHEMBL11467000 | 0.73 | ALDH1A1 (0.41) | — | |
| SCHEMBL215279 | 0.73 | — | — | |
| SCHEMBL1555226 | 0.73 | ALDH1A1 (0.41) | — | |
| SCHEMBL534789 | 0.73 | — | — | |
| SCHEMBL9450870 | 0.73 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7279475-B2 | Fluorinated di-aryl urea compounds | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2007-10-09 | — | — | US | disclosed |
| EP-1549621-A1 | FLUORINATED PHENYL-NAPHTHALENYL-UREA COMPOUNDS AS INHIBITORS OF CYTOKINES INVOLVED IN INFLAMMATORY PROCESSES | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2005-07-06 | — | — | EP | disclosed |
| US-6872726-B2 | Fluorinated di-aryl urea compounds | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2005-03-29 | — | — | US | disclosed |
| US-20050032797-A1 | Fluorinated di-aryl urea compounds | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2005-02-10 | — | — | US | disclosed |
| US-20040077647-A1 | Cytokine inhibitors, antiinflammatory agents | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2004-04-22 | — | — | US | disclosed |
| WO-2004014870-A1 | FLUORINATED PHENYL-NAPHTHALENYL-UREA COMPOUNDS AS INHIBITORS OF CYTOKINES INVOLVED IN INFLAMMATORY PROCESSES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2004-02-19 | — | — | WO | disclosed |