⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19853731 | 0.78 | ATM (0.41) | — | |
| SCHEMBL19839388 | 0.77 | CRBN (0.36) | — | |
| SCHEMBL19853732 | 0.77 | SMYD3 (0.33) | — | |
| SCHEMBL19839331 | 0.72 | CRBN (0.31) | — | |
| SCHEMBL19853700 | 0.72 | CRBN (0.31) | — | |
| SCHEMBL19854899 | 0.72 | BACE1 (0.35) | — | |
| SCHEMBL21997255 | 0.71 | — | — | |
| SCHEMBL19853677 | 0.71 | SMYD3 (0.41) | — | |
| SCHEMBL7814916 | 0.71 | — | — | |
| SCHEMBL8224882 | 0.71 | — | — |
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-2018026763-A1 | SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF | APTINYX INC. (US) | 2018-02-08 | — | — | WO | disclosed |