⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10433055 | 0.77 | HMGCR (0.32) | — | |
| SCHEMBL1233417 | 0.75 | — | — | |
| SCHEMBL2805863 | 0.75 | — | — | |
| SCHEMBL23393911 | 0.73 | — | — | |
| SCHEMBL17445678 | 0.73 | KMT2A (0.30) | — | |
| SCHEMBL21293612 | 0.73 | — | — | |
| SCHEMBL13079905 | 0.70 | TSHR (0.40) | — | |
| SCHEMBL13550899 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL23554279 | 0.67 | — | — | |
| SCHEMBL13589664 | 0.67 | MCL1 (0.52) | — |
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-10202345-B2 | Substituted azaspiro(4.5)decane derivatives | GRUENENTHAL GMBH (DE) | 2019-02-12 | — | — | US | disclosed |