⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17789062 | 0.86 | ALDH1A1 (0.35) | — | |
| SCHEMBL17792545 | 0.82 | ALDH1A1 (0.39) | — | |
| SCHEMBL17792544 | 0.80 | ALDH1A1 (0.36) | — | |
| SCHEMBL18743932 | 0.77 | EZH2 (0.33) | — | |
| SCHEMBL18743923 | 0.75 | — | — | |
| SCHEMBL18743937 | 0.74 | DHODH (0.33) | — | |
| SCHEMBL18743912 | 0.74 | — | — | |
| SCHEMBL18743895 | 0.72 | PIK3CD (0.32) | — | |
| SCHEMBL19390778 | 0.69 | EZH2 (0.41) | — | |
| SCHEMBL18743890 | 0.69 | HPD (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9624205-B2 | Substituted 6,5-fused bicyclic heteroaryl compounds | Epizyme, Inc. (US) | 2017-04-18 | — | — | US | disclosed |