⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8778709 | 1.00 | GNAI3 (0.45) | — | |
| SCHEMBL3182945 | 0.89 | SNCA (0.41) | — | |
| SCHEMBL3326166 | 0.88 | — | — | |
| SCHEMBL7851739 | 0.87 | GNAI3 (0.38) | — | |
| SCHEMBL1238549 | 0.86 | GNAI3 (0.41) | — | |
| Water SCHEMBL27995849 | 0.86 | GNAI3 (0.41) | — | |
| Ethane SCHEMBL4231792 | 0.84 | GNAI3 (0.39) | — | |
| SCHEMBL2744386 | 0.82 | KDM1A (0.40) | — | |
| SCHEMBL7508167 | 0.82 | GNAI3 (0.38) | — | |
| SCHEMBL4724599 | 0.82 | GNAI3 (0.38) | — |
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-2018057576-A1 | DEUTERIUM-SUBSTITUTED PYRIDIN- AND PYRIMIDIN-2-YL-METHYLAMINE COMPOUNDS | AUSPEX PHARMACEUTICALS, INC. (US) | 2018-03-29 | — | — | WO | disclosed |