⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9967698 | 0.88 | LMNA (0.30) | — | |
| SCHEMBL8269587 | 0.77 | PIK3CD (0.31) | — | |
| SCHEMBL15821990 | 0.75 | LMNA (0.40) | — | |
| SCHEMBL24319157 | 0.75 | — | — | |
| SCHEMBL15821989 | 0.75 | LMNA (0.40) | — | |
| SCHEMBL9837966 | 0.75 | ALDH1A1 (0.30) | — | |
| SCHEMBL22722108 | 0.74 | — | — | |
| SCHEMBL14006393 | 0.73 | HTT (0.30) | — | |
| SCHEMBL712301 | 0.73 | EPHX1 (0.32) | — | |
| SCHEMBL10743427 | 0.73 | — | — |
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-2020099537-A1 | BENZAZEPIN-L,7-DIOL-DERIVED RADIOLABELED LIGANDS WITH HIGH IN VIVO NMDA SPECIFICITY | ETH ZURICH (CH) | 2020-05-22 | — | — | WO | disclosed |