⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4269628 | 0.81 | — | — | |
| SCHEMBL4417042 | 0.77 | — | — | |
| SCHEMBL28748 | 0.77 | — | — | |
| SCHEMBL12495185 | 0.77 | CYP1A2 (0.42) | — | |
| SCHEMBL12495184 | 0.77 | TAAR1 (0.41) | — | |
| SCHEMBL26121179 | 0.75 | CYP1A2 (0.45) | — | |
| SCHEMBL30556889 | 0.75 | CYP1A2 (0.45) | — | |
| SCHEMBL28595048 | 0.74 | GOT1 (0.33) | — | |
| SCHEMBL27490477 | 0.74 | CYP1A2 (0.40) | — | |
| SCHEMBL11395884 | 0.72 | GOT1 (0.32) | — |
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-2020264499-A1 | IRAK DEGRADERS AND USES THEREOF | KYMERA THERAPEUTICS, INC. (US) | 2020-12-30 | — | — | WO | disclosed |