⚠ 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 | |
|---|---|---|---|---|
| Piperidine SCHEMBL20481933 | 0.96 | — | — | |
| Azepane SCHEMBL15936487 | 0.96 | ALDH1A1 (0.75) | — | |
| Pyrrolidine SCHEMBL27373182 | 0.86 | — | — | |
| Pyrrolidine SCHEMBL622433 | 0.85 | — | — | |
| SCHEMBL576640 | 0.85 | ALDH1A1 (0.89) | — | |
| Pyrrolidine SCHEMBL7827746 | 0.85 | ALDH1A1 (0.89) | — | |
| Aziridine SCHEMBL8528843 | 0.85 | — | — | |
| SCHEMBL3811182 | 0.85 | ALDH1A1 (0.89) | — | |
| Pyrrolidine SCHEMBL148449 | 0.85 | — | — | |
| Pyrrolidine SCHEMBL11288790 | 0.85 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105188705-A | Compositions comprising thienopyrimidine and thienopyridine compounds and methods of use thereof | UNIV MICHIGAN | 2015-12-23 | — | — | CN | disclosed |