⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23938908 | 0.93 | — | — | |
| SCHEMBL23938887 | 0.81 | — | — | |
| SCHEMBL21927116 | 0.80 | DDB1 (0.30) | — | |
| SCHEMBL21925254 | 0.76 | — | — | |
| SCHEMBL21281361 | 0.67 | — | — | |
| SCHEMBL21281476 | 0.66 | DDB1 (0.30) | — | |
| SCHEMBL19310220 | 0.64 | — | — | |
| SCHEMBL19310143 | 0.63 | — | — | |
| SCHEMBL21925688 | 0.62 | — | — | |
| SCHEMBL19310114 | 0.62 | — | — |
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-A1 | ISOINDOLINE DERIVATIVE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF | Kangpu Biopharmaceuticals, Ltd. (CN) | 2020-04-29 | — | — | EP | disclosed |