⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4526360 | 0.91 | — | — | |
| SCHEMBL19119326 | 0.84 | — | — | |
| SCHEMBL3399473 | 0.84 | CYP3A4 (0.37) | — | |
| SCHEMBL19118708 | 0.83 | — | — | |
| SCHEMBL19118484 | 0.81 | — | — | |
| SCHEMBL3423698 | 0.78 | — | — | |
| SCHEMBL19118683 | 0.75 | HTT (0.38) | — | |
| SCHEMBL3400203 | 0.75 | NOS3 (0.32) | — | |
| SCHEMBL4533645 | 0.72 | HMGCR (0.32) | — | |
| SCHEMBL4533647 | 0.72 | HMGCR (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2245123-B1 | METHODS FOR PRODUCING ALKYLATED 1,3 BENZENEDIAMINE COMPOUNDS | CHEMTURA CORP (US) | 2017-07-19 | — | — | EP | disclosed |
| EP-2245123-A2 | ALKYLATED 1,3 BENZENEDIAMINE COMPOUNDS AND METHODS FOR PRODUCING SAME | Chemtura Corporation (US) | 2010-11-03 | — | — | EP | disclosed |
| WO-2009076091-A2 | ALKYLATED 1,3 BENZENEDIAMINE COMPOUNDS AND METHODS FOR PRODUCING SAME | CHEMTURA CORPORATION (US) | 2009-06-18 | — | — | WO | disclosed |