⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10050128 | 0.75 | — | — | |
| SCHEMBL11126725 | 0.75 | — | — | |
| SCHEMBL9750691 | 0.73 | — | — | |
| SCHEMBL91093 | 0.71 | — | — | |
| SCHEMBL17514073 | 0.71 | — | — | |
| SCHEMBL21123053 | 0.67 | — | — | |
| Ethylenediamine SCHEMBL9441895 | 0.65 | TSHR (0.42) | — | |
| Ethylenediamine SCHEMBL8391022 | 0.65 | — | — | |
| SCHEMBL5975133 | 0.63 | — | — | |
| SCHEMBL16215468 | 0.56 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2851369-A2 | Methods for the diagnosis of dementia and other neurological disorders | Phenomenome Discoveries Inc. (CA) | 2015-03-25 | — | — | EP | disclosed |