⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19309910 | 0.74 | KCNH2 (0.36) | — | |
| SCHEMBL5514335 | 0.71 | GRM4 (0.40) | — | |
| SCHEMBL3786178 | 0.67 | MAPT (0.44) | — | |
| SCHEMBL31348270 | 0.67 | IDO1 (0.44) | — | |
| SCHEMBL319516 | 0.67 | IDO1 (0.44) | — | |
| SCHEMBL12889264 | 0.67 | PLAU (0.40) | — | |
| SCHEMBL3651020 | 0.66 | POLB (0.44) | — | |
| SCHEMBL31481004 | 0.65 | POLB (0.49) | — | |
| SCHEMBL959207 | 0.64 | — | — | |
| SCHEMBL3880085 | 0.64 | — | — |
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 |