⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1973727 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL301586 | 0.73 | ALDH1A1 (0.36) | — | |
| SCHEMBL5071917 | 0.73 | — | — | |
| SCHEMBL11301061 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL25207526 | 0.69 | — | — | |
| SCHEMBL8429882 | 0.69 | — | — | |
| SCHEMBL10336204 | 0.69 | — | — | |
| SCHEMBL18651759 | 0.65 | — | — | |
| SCHEMBL10336197 | 0.65 | — | — | |
| SCHEMBL5073944 | 0.65 | ALDH1A1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021041898-A1 | PYRAZOLE COMPOUNDS, FORMULATIONS THEREOF, AND A METHOD FOR USING THE COMPOUNDS AND/OR FORMULATIONS | RIGEL PHARMACEUTICALS, INC. (US) | 2021-03-04 | — | — | WO | disclosed |
| WO-2021026451-A1 | COMPOUNDS AND METHOD FOR TREATING CYTOKINE RELEASE SYNDROME | RIGEL PHARMACEUTICALS, INC. (US) | 2021-02-11 | — | — | WO | disclosed |