⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26133398 | 0.82 | CHRNB2 (0.34) | — | |
| SCHEMBL11969 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL71184 | 0.73 | — | — | |
| SCHEMBL10211603 | 0.73 | — | — | |
| SCHEMBL14504587 | 0.73 | — | — | |
| SCHEMBL21188713 | 0.73 | — | — | |
| SCHEMBL31067213 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL32681729 | 0.71 | — | — | |
| SCHEMBL21811630 | 0.71 | — | — | |
| SCHEMBL25145296 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230065740-A1 | CYCLIN-DEPENDENT KINASE INHIBITORS | SPV THERAPEUTICS INC. | 2023-03-02 | — | — | US | disclosed |