⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23511 | 0.62 | — | — | |
| SCHEMBL93164 | 0.58 | — | — | |
| SCHEMBL18669551 | 0.51 | — | — | |
| SCHEMBL15874999 | 0.44 | — | — | |
| SCHEMBL380648 | 0.41 | — | — | |
| SCHEMBL2326 | 0.39 | — | — | |
| SCHEMBL2088 | 0.39 | — | — | |
| SCHEMBL1112757 | 0.35 | — | — | |
| SCHEMBL1112761 | 0.35 | — | — | |
| SCHEMBL9866494 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070244153-A1 | Diamine Derivative, Process of Preparation Thereof, and Fungicide Comprising Diamine Derivative as an Active Ingredient | MITSUI CHEMICALS, INC. (JP) | 2007-10-18 | — | — | US | disclosed |
| EP-1770085-A1 | DIAMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME AND FUNGICIDE CONTAINING THE DERIVATIVE AS ACTIVE INGREDIENT | Mitsui Chemicals, Inc. (JP) | 2007-04-04 | — | — | EP | disclosed |