⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22845497 | 0.84 | ADORA2B (0.33) | — | |
| SCHEMBL22845481 | 0.63 | ADORA2B (0.33) | — | |
| SCHEMBL22479947 | 0.57 | — | — | |
| SCHEMBL141994 | 0.55 | GSK3A (0.44) | — | |
| SCHEMBL24367516 | 0.55 | — | — | |
| SCHEMBL24224672 | 0.55 | — | — | |
| SCHEMBL22294701 | 0.52 | — | — | |
| SCHEMBL12251815 | 0.51 | GSK3A (0.36) | — | |
| SCHEMBL21788823 | 0.51 | GSK3A (0.32) | — | |
| SCHEMBL20024617 | 0.50 | — | — |
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-2020263935-A1 | HCK DEGRADERS AND USES THEREOF | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2020-12-30 | — | — | WO | disclosed |