⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4533018 | 0.98 | TDO2 (0.31) | — | |
| SCHEMBL3396922 | 0.80 | — | — | |
| SCHEMBL3396660 | 0.79 | — | — | |
| SCHEMBL19119094 | 0.78 | GABRA1 (0.32) | — | |
| SCHEMBL3400150 | 0.78 | — | — | |
| SCHEMBL1499215 | 0.76 | CNR1 (0.35) | — | |
| SCHEMBL3426262 | 0.76 | — | — | |
| SCHEMBL3394694 | 0.76 | — | — | |
| SCHEMBL532888 | 0.76 | CYP3A4 (0.34) | — | |
| SCHEMBL3400010 | 0.74 | TDO2 (0.35) | — |
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 5 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 |
| US-8563489-B2 | Alkylated 1,3-benzenediamine compounds and methods for producing same | CHEMTURA CORPORATION (US) | 2013-10-22 | — | — | US | 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 |
| US-20090156449-A1 | ALKYLATED 1,3-BENZENEDIAMINE COMPOUNDS AND METHODS FOR PRODUCING SAME | LANXESS SOLUTIONS US INC. | 2009-06-18 | — | — | US | disclosed |