⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23864786 | 0.68 | CRBN (0.39) | — | |
| SCHEMBL19310114 | 0.68 | — | — | |
| SCHEMBL21927112 | 0.66 | — | — | |
| SCHEMBL21925688 | 0.63 | — | — | |
| SCHEMBL21924038 | 0.63 | — | — | |
| SCHEMBL21281328 | 0.57 | CYP19A1 (0.35) | — | |
| SCHEMBL19451258 | 0.54 | CRBN (0.39) | — | |
| SCHEMBL22857745 | 0.53 | CRBN (0.38) | — | |
| SCHEMBL23979357 | 0.53 | CRBN (0.42) | — | |
| SCHEMBL23979399 | 0.53 | CRBN (0.42) | — |
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-3214081-A1 | ISOINDOLINE DERIVATIVE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF | Kangpu Biopharmaceuticals, Ltd. (CN) | 2017-09-06 | — | — | EP | disclosed |