⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2803853 | 0.79 | GNAI3 (0.50) | — | |
| Hydrochloric Acid SCHEMBL2293794 | 0.77 | GNAI3 (0.53) | — | |
| Hydrochloric Acid SCHEMBL2300838 | 0.77 | GNAI3 (0.53) | — | |
| SCHEMBL5324155 | 0.75 | GNAI3 (0.57) | — | |
| SCHEMBL8518241 | 0.74 | — | — | |
| SCHEMBL16602451 | 0.72 | — | — | |
| SCHEMBL684220 | 0.72 | — | — | |
| SCHEMBL25150263 | 0.72 | — | — | |
| SCHEMBL10281059 | 0.72 | — | — | |
| SCHEMBL3982716 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021127190-A1 | IRAK DEGRADERS AND USES THEREOF | KYMERA THERAPEUTICS, INC. (US) | 2021-06-24 | — | — | WO | disclosed |