⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20183084 | 1.00 | — | — | |
| SCHEMBL5764014 | 0.80 | — | — | |
| SCHEMBL10310238 | 0.76 | — | — | |
| SCHEMBL292612 | 0.76 | — | — | |
| SCHEMBL21064666 | 0.76 | — | — | |
| SCHEMBL15026782 | 0.73 | ALDH1A1 (0.40) | — | |
| Dimethylamine SCHEMBL27603501 | 0.73 | ALDH1A1 (0.43) | — | |
| SCHEMBL14546712 | 0.73 | KDM4E (0.34) | — | |
| SCHEMBL25733751 | 0.73 | ALDH1A1 (0.36) | — | |
| SCHEMBL8435511 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018094227-A1 | ALKYL PYRROLOPYRIMIDINE ANALOGS AND METHODS OF MAKING AND USING SAME | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2018-05-24 | — | — | WO | disclosed |