⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22770005 | 0.69 | KMT2A (0.32) | — | |
| SCHEMBL23908689 | 0.63 | — | — | |
| SCHEMBL11222922 | 0.62 | — | — | |
| SCHEMBL23908697 | 0.59 | — | — | |
| SCHEMBL23908707 | 0.56 | — | — | |
| SCHEMBL593546 | 0.54 | KDM4E (0.32) | — | |
| SCHEMBL21950922 | 0.51 | FFAR3 (0.36) | — | |
| SCHEMBL21950919 | 0.51 | FFAR3 (0.36) | — | |
| SCHEMBL17997783 | 0.51 | — | — | |
| SCHEMBL14919547 | 0.50 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3784654-A1 | ISOINDOLINES AS HDAC INHIBITORS | Valo Early Discovery, Inc. (US) | 2021-03-03 | — | — | EP | disclosed |
| WO-2019204550-A1 | ISOINDOLINES AS HDAC INHIBITORS | FORMA THERAPEUTICS, INC. (US) | 2019-10-24 | — | — | WO | disclosed |