⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9736487 | 0.88 | — | — | |
| SCHEMBL9735846 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL13063195 | 0.73 | — | — | |
| SCHEMBL23982804 | 0.71 | — | — | |
| SCHEMBL11556418 | 0.71 | — | — | |
| SCHEMBL937165 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL21093322 | 0.69 | — | — | |
| SCHEMBL16412187 | 0.69 | — | — | |
| SCHEMBL20098033 | 0.67 | — | — | |
| SCHEMBL24818706 | 0.65 | HTR1A (0.43) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210347772-A1 | AZAINDOLE INHIBITORS OF WILD-TYPE AND MUTANT FORMS OF LRRK2 | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2021-11-11 | — | — | US | disclosed |
| US-20210347709-A1 | RADIOFLUORINATED GPC3-BINDING PEPTIDES FOR PET IMAGING OF HEPATOCELLULAR CARCINOMA | UNIVERSITY OF SOUTHERN CALIFORNIA (US) | 2021-11-11 | — | — | US | disclosed |