⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17715111 | 0.74 | ALDH1A1 (0.41) | — | |
| SCHEMBL27522708 | 0.71 | ALDH1A1 (0.39) | — | |
| SCHEMBL4775006 | 0.70 | — | — | |
| SCHEMBL24761418 | 0.70 | — | — | |
| SCHEMBL5366789 | 0.67 | — | — | |
| SCHEMBL17267574 | 0.66 | ALDH1A1 (0.33) | — | |
| SCHEMBL21467115 | 0.66 | — | — | |
| SCHEMBL6718584 | 0.65 | — | — | |
| SCHEMBL6288833 | 0.65 | — | — | |
| SCHEMBL4410944 | 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 |