⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24575331 | 0.74 | — | — | |
| SCHEMBL12879663 | 0.73 | — | — | |
| SCHEMBL12885040 | 0.71 | — | — | |
| SCHEMBL987315 | 0.67 | TSHR (0.31) | — | |
| SCHEMBL8373979 | 0.67 | TSHR (0.31) | — | |
| SCHEMBL12482353 | 0.65 | — | — | |
| SCHEMBL16618541 | 0.65 | — | — | |
| SCHEMBL1115020 | 0.65 | — | — | |
| SCHEMBL20274097 | 0.64 | HDAC3 (0.30) | — | |
| SCHEMBL23457422 | 0.64 | — | — |
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-11161856-B2 | Spirocycle compounds and methods of making and using same | H. LUNDBECK A/S (DK) | 2021-11-02 | — | — | US | disclosed |