⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5975091 | 0.65 | — | — | |
| SCHEMBL4104641 | 0.61 | — | — | |
| SCHEMBL18950123 | 0.61 | ALDH1A1 (0.36) | — | |
| SCHEMBL27308746 | 0.61 | ALDH1A1 (0.36) | — | |
| SCHEMBL5327633 | 0.60 | — | — | |
| SCHEMBL22063878 | 0.60 | TDP1 (0.38) | — | |
| SCHEMBL23945924 | 0.58 | ALDH1A1 (0.38) | — | |
| SCHEMBL15293403 | 0.58 | CRBN (0.41) | — | |
| SCHEMBL18950124 | 0.57 | — | — | |
| SCHEMBL21558183 | 0.57 | TDP1 (0.39) | — |
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-2016044666-A1 | HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF | Epizyme, Inc. (US) | 2016-03-24 | — | — | WO | disclosed |