⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16005069 | 0.83 | BCL9 (0.36) | — | |
| SCHEMBL4431394 | 0.75 | — | — | |
| SCHEMBL7921835 | 0.71 | — | — | |
| SCHEMBL7919728 | 0.67 | ALOX5 (0.33) | — | |
| SCHEMBL11696920 | 0.66 | — | — | |
| SCHEMBL7913124 | 0.65 | CES2 (0.35) | — | |
| SCHEMBL11215519 | 0.65 | — | — | |
| SCHEMBL10426165 | 0.64 | — | — | |
| SCHEMBL8681647 | 0.63 | — | — | |
| SCHEMBL3284807 | 0.62 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2774914-B1 | N-BENZYLANILINE DERIVATIVE AND USES THEREOF | UNIV NANJING MEDICAL (CN) | 2017-12-06 | — | — | EP | disclosed |
| US-9481636-B2 | N-benzylaniline derivative and uses thereof | NANJING MEDICAL UNIVERSITY (CN) | 2016-11-01 | — | — | US | disclosed |
| US-20140303248-A1 | N-BENZYLANILINE DERIVATIVE AND USES THEREOF | Neurodawn Pharmaceutical Co., Ltd. (CN) | 2014-10-09 | — | — | US | disclosed |
| EP-2774914-A1 | N-BENZYLANILINE DERIVATIVE AND USES THEREOF | Nanjing Medical University (CN) | 2014-09-10 | — | — | EP | disclosed |