⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10159970 | 0.76 | — | — | |
| SCHEMBL20715856 | 0.74 | — | — | |
| SCHEMBL21567101 | 0.72 | GRIN2D (0.33) | — | |
| SCHEMBL24842116 | 0.69 | ADH1B (0.30) | — | |
| SCHEMBL19239209 | 0.69 | — | — | |
| SCHEMBL20715857 | 0.69 | — | — | |
| SCHEMBL23985641 | 0.67 | — | — | |
| SCHEMBL24768893 | 0.67 | — | — | |
| SCHEMBL14216373 | 0.67 | — | — | |
| SCHEMBL12257638 | 0.65 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230357179-A1 | RAF KINASE INHIBITORS AND METHODS OF USE THEREOF | DECIPHERA PHARMACEUTICALS, LLC | 2023-11-09 | — | — | US | disclosed |
| US-11718618-B2 | Substituted pyrido[2,1-a]isoquinolines as VMAT2 inhibitors | NEUROCRINE BIOSCIENCES, INC. (US) | 2023-08-08 | — | — | US | disclosed |
| US-20230242537-A1 | IMIDAZOPYRIMIDINES AS MODULATORS OF IL-17 | JANSSEN PHARMACEUTICA N.V. (BE) | 2023-08-03 | — | — | US | disclosed |
| US-20230242537-A1 | IMIDAZOPYRIMIDINES AS MODULATORS OF IL-17 | JANSSEN PHARMACEUTICA N.V. (BE) | 2023-08-03 | — | — | US | disclosed |
| US-11702422-B2 | Imidazopyridazines as modulators of IL-17 | JANSSEN PHARMACEUTICA NV (BE) | 2023-07-18 | — | — | US | disclosed |
| US-20230159528-A1 | VMAT2 INHIBITORS AND METHODS OF USE | NEUROCRINE BIOSCIENCES, INC. | 2023-05-25 | — | — | US | disclosed |