⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9837966 | 0.76 | ALDH1A1 (0.30) | — | |
| SCHEMBL22014777 | 0.75 | — | — | |
| SCHEMBL11983845 | 0.72 | ALDH1A1 (0.41) | — | |
| SCHEMBL27944926 | 0.71 | — | — | |
| SCHEMBL256016 | 0.71 | ALDH1A1 (0.50) | — | |
| SCHEMBL22722108 | 0.70 | — | — | |
| SCHEMBL13953465 | 0.69 | — | — | |
| SCHEMBL20732767 | 0.69 | ALDH1A1 (0.54) | — | |
| SCHEMBL11219791 | 0.69 | ALDH1A1 (0.54) | — | |
| SCHEMBL2123722 | 0.68 | EPHX1 (0.48) | — |
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-20220118118-A1 | BENZAZEPIN-L,7-DIOL-DERIVED RADIOLABELED LIGANDS WITH HIGH IN VIVO NMDA SPECIFICITY | ETH ZURICH (CH) | 2022-04-21 | — | — | US | disclosed |