⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7258085 | 0.98 | CHRNB2 (0.41) | — | |
| SCHEMBL5266355 | 0.83 | HSP90AB1 (0.35) | — | |
| SCHEMBL13600289 | 0.83 | HSP90AB1 (0.35) | — | |
| SCHEMBL13600285 | 0.83 | HSP90AB1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL10868234 | 0.78 | SLC6A1 (0.40) | — | |
| SCHEMBL2334130 | 0.77 | EPHX1 (0.40) | — | |
| SCHEMBL1078014 | 0.77 | EPHX1 (0.39) | — | |
| SCHEMBL1079969 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL697519 | 0.77 | — | — | |
| SCHEMBL628376 | 0.76 | ELANE (0.32) | — |
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-1740540-A1 | PHENYL ACETAMIDES | Bayer HealthCare AG (DE) | 2007-01-10 | — | — | EP | disclosed |
| WO-2005103001-A1 | PHENYL ACETAMIDES | BAYER HEALTHCARE AG (DE) | 2005-11-03 | — | — | WO | disclosed |