⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18334248 | 0.88 | HPGD (0.33) | — | |
| SCHEMBL16118878 | 0.86 | TNKS2 (0.36) | — | |
| SCHEMBL1691652 | 0.80 | — | — | |
| SCHEMBL628315 | 0.80 | — | — | |
| SCHEMBL628314 | 0.80 | — | — | |
| SCHEMBL9356937 | 0.78 | — | — | |
| SCHEMBL20919435 | 0.78 | — | — | |
| SCHEMBL20919342 | 0.78 | — | — | |
| SCHEMBL9356786 | 0.78 | — | — | |
| SCHEMBL16790679 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3169665-B1 | SUBSTITUTED AZA-SPIRO(4.5)DECANE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2018-05-09 | — | — | EP | disclosed |