⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10290697 | 1.00 | — | — | |
| SCHEMBL6665422 | 0.88 | CHRNB2 (0.41) | — | |
| SCHEMBL14369096 | 0.88 | CHRNB2 (0.41) | — | |
| SCHEMBL1071308 | 0.88 | CHRNB2 (0.41) | — | |
| SCHEMBL78095 | 0.87 | EPHX2 (0.36) | — | |
| Hydrochloric Acid SCHEMBL31511527 | 0.86 | CHRNB2 (0.40) | — | |
| Hydrochloric Acid SCHEMBL4432748 | 0.86 | CHRNB2 (0.40) | — | |
| Hydrochloric Acid SCHEMBL4433636 | 0.86 | CHRNB2 (0.40) | — | |
| Hydrochloric Acid SCHEMBL4432885 | 0.85 | EPHX2 (0.35) | — | |
| SCHEMBL2896961 | 0.77 | CHRM1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220356185-A1 | MERTK DEGRADERS AND USES THEREOF | KYMERA THERAPEUTICS, INC. | 2022-11-10 | — | — | US | disclosed |