⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL189482 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL8350376 | 0.81 | — | — | |
| SCHEMBL9625483 | 0.56 | — | — | |
| SCHEMBL220699 | 0.56 | — | — | |
| SCHEMBL10826700 | 0.56 | — | — | |
| SCHEMBL165725 | 0.56 | — | — | |
| SCHEMBL512358 | 0.56 | — | — | |
| SCHEMBL16905150 | 0.55 | PTK2 (0.41) | — | |
| SCHEMBL4478730 | 0.55 | PTGS1 (0.33) | — | |
| SCHEMBL429474 | 0.54 | — | — |
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-2895481-A1 | NON-ANNULATED THIOPHENYLAMIDES AS INHIBITORS OF FATTY ACID BINDING PROTEINI(FABP) 4 AND/OR 5 | F. Hoffmann-La Roche AG (CH) | 2015-07-22 | — | — | EP | disclosed |
| WO-2014040938-A1 | NON-ANNULATED THIOPHENYLAMIDES AS INHIBITORS OF FATTY ACID BINDING PROTEINI(FABP) 4 AND/OR 5 | F. HOFFMANN-LA ROCHE AG (CH) | 2014-03-20 | — | — | WO | disclosed |