⚠ 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 | |
|---|---|---|---|---|
| Aziridine SCHEMBL28199312 | 0.86 | — | — | |
| Piperidine SCHEMBL27868907 | 0.80 | — | — | |
| Piperidine SCHEMBL28388670 | 0.80 | ALDH1A1 (0.60) | — | |
| Piperidine SCHEMBL28384993 | 0.80 | ALDH1A1 (0.60) | — | |
| Piperidine SCHEMBL9525713 | 0.80 | — | — | |
| Cyanate SCHEMBL27853215 | 0.80 | ALDH1A1 (0.60) | — | |
| SCHEMBL8643744 | 0.80 | ALDH1A1 (0.60) | — | |
| Pyrrolidine SCHEMBL3238959 | 0.78 | ALDH1A1 (0.67) | — | |
| SCHEMBL8253733 | 0.78 | ALDH1A1 (1.00) | — | |
| Azepane SCHEMBL11361504 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2421867-A2 | PIPERIDINE INHIBITORS OF JANUS KINASE 3 | Auspex Pharmaceuticals, Llc (US) | 2012-02-29 | — | — | EP | disclosed |
| WO-2010123919-A2 | PIPERIDINE INHIBITORS OF JANUS KINASE 3 | AUSPEX PHARMACEUTICALS, LLC (US) | 2010-10-28 | — | — | WO | disclosed |