⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21618324 | 0.80 | — | — | |
| SCHEMBL31637495 | 0.80 | ALDH1A1 (0.35) | — | |
| SCHEMBL31493480 | 0.79 | — | — | |
| SCHEMBL11224012 | 0.78 | KDM4E (0.37) | — | |
| SCHEMBL16118629 | 0.78 | KDM4E (0.37) | — | |
| SCHEMBL24458540 | 0.77 | IDO1 (0.30) | — | |
| SCHEMBL21452570 | 0.77 | ALDH1A1 (0.30) | — | |
| Water SCHEMBL11231209 | 0.76 | KDM4E (0.35) | — | |
| SCHEMBL24159249 | 0.75 | GAA (0.38) | — | |
| SCHEMBL16118630 | 0.75 | EPHX1 (0.31) | — |
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-20210340121-A1 | SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2021-11-04 | — | — | US | disclosed |
| US-11008302-B2 | Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators | JANSSEN PHARMACEUTICA NV (BE) | 2021-05-18 | — | — | US | disclosed |
| US-20190308950-A1 | SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2019-10-10 | — | — | US | disclosed |