⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21281365 | 0.86 | — | — | |
| SCHEMBL21281361 | 0.82 | — | — | |
| SCHEMBL21281367 | 0.77 | WDR5 (0.32) | — | |
| SCHEMBL21281566 | 0.75 | — | — | |
| SCHEMBL21281364 | 0.69 | — | — | |
| SCHEMBL21281559 | 0.69 | WDR5 (0.32) | — | |
| SCHEMBL23938876 | 0.69 | — | — | |
| SCHEMBL23939088 | 0.69 | — | — | |
| SCHEMBL21924068 | 0.68 | — | — | |
| SCHEMBL21281330 | 0.67 | CRBN (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3643709-B1 | ISOINDOLINE DERIVATIVE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF | KANGPU BIOPHARMACEUTICALS LTD (CN) | 2021-10-20 | — | — | EP | disclosed |