⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23732158 | 0.77 | — | — | |
| SCHEMBL23572284 | 0.77 | TSHR (0.36) | — | |
| SCHEMBL23560370 | 0.74 | KCNH2 (0.32) | — | |
| SCHEMBL22856522 | 0.71 | CYP2D6 (0.45) | — | |
| SCHEMBL16579961 | 0.68 | KCNH2 (0.45) | — | |
| SCHEMBL22155732 | 0.68 | — | — | |
| SCHEMBL17778113 | 0.66 | CYP2D6 (0.40) | — | |
| SCHEMBL16580052 | 0.63 | KCNH2 (0.34) | — | |
| SCHEMBL16579960 | 0.63 | KCNH2 (0.34) | — | |
| SCHEMBL23696840 | 0.63 | — | — |
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 |