⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18850533 | 0.72 | ALDH1A1 (0.37) | — | |
| SCHEMBL24533972 | 0.65 | — | — | |
| SCHEMBL22055396 | 0.64 | — | — | |
| SCHEMBL23764812 | 0.64 | — | — | |
| SCHEMBL18727590 | 0.62 | — | — | |
| SCHEMBL14390707 | 0.62 | — | — | |
| SCHEMBL23764784 | 0.62 | — | — | |
| SCHEMBL21350051 | 0.59 | — | — | |
| SCHEMBL21948718 | 0.59 | — | — | |
| SCHEMBL10858651 | 0.54 | TSHR (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 |
|---|---|---|---|---|---|---|---|
| WO-2015200650-A9 | SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS | Epizyme, Inc. (US) | 2017-04-13 | — | — | WO | disclosed |