⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22199340 | 0.90 | — | — | |
| SCHEMBL19309922 | 0.81 | AKR1B1 (0.33) | — | |
| SCHEMBL19310041 | 0.80 | — | — | |
| SCHEMBL23470212 | 0.74 | — | — | |
| SCHEMBL21281401 | 0.71 | — | — | |
| SCHEMBL21281328 | 0.71 | CYP19A1 (0.35) | — | |
| SCHEMBL21927072 | 0.71 | AKR1B1 (0.32) | — | |
| SCHEMBL22199360 | 0.70 | AKR1B1 (0.34) | — | |
| SCHEMBL23470170 | 0.65 | DDB1 (0.33) | — | |
| SCHEMBL19310186 | 0.61 | AKR1B1 (0.33) | — |
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 |