⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23775622 | 0.78 | — | — | |
| SCHEMBL16667527 | 0.64 | — | — | |
| SCHEMBL20463211 | 0.62 | — | — | |
| SCHEMBL7959799 | 0.62 | — | — | |
| SCHEMBL15127925 | 0.62 | — | — | |
| SCHEMBL24157606 | 0.60 | — | — | |
| SCHEMBL4523778 | 0.57 | — | — | |
| SCHEMBL11122422 | 0.55 | TSHR (0.32) | — | |
| Bromide SCHEMBL7353016 | 0.55 | — | — | |
| SCHEMBL1454867 | 0.53 | — | — |
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-2021236876-A2 | RING DEUTERATED GABOXADOL AND ITS USE FOR THE TREATMENT OF PSYCHIATRIC DISORDERS | Certego Therapeutics Inc. (US) | 2021-11-25 | — | — | WO | disclosed |