⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12785747 | 0.97 | LMNA (0.52) | — | |
| SCHEMBL13365011 | 0.88 | ALOX15 (0.38) | — | |
| SCHEMBL11086634 | 0.84 | HRH3 (0.52) | — | |
| SCHEMBL16549913 | 0.82 | HRH3 (0.56) | — | |
| SCHEMBL17122822 | 0.79 | PAOX (0.41) | — | |
| SCHEMBL23719581 | 0.77 | ALDH1A1 (0.46) | — | |
| SCHEMBL22876976 | 0.77 | ALOX15 (0.31) | — | |
| SCHEMBL13587898 | 0.77 | SMN1; SMN2 (0.45) | — | |
| SCHEMBL18270625 | 0.77 | GNAI3 (0.42) | — | |
| SCHEMBL14327368 | 0.77 | LMNA (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9988364-B1 | Process for synthesis of Eliglustat and intermediate compounds thereof | ZHEJIANG AUSUN PHARMACEUTICAL CO., LTD. (CN) | 2018-06-05 | — | — | US | disclosed |
| EP-3305785-A1 | PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | Teijin Pharma Limited (JP) | 2018-04-11 | — | — | EP | disclosed |
| EP-3257848-A1 | COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR ACTIVITY | Novartis AG (CH) | 2017-12-20 | — | — | EP | disclosed |