⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13849167 | 0.83 | — | — | |
| SCHEMBL21510096 | 0.83 | CYP2D6 (0.33) | — | |
| SCHEMBL5839039 | 0.82 | — | — | |
| SCHEMBL5585816 | 0.79 | GAA (0.31) | — | |
| SCHEMBL14864995 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL27092835 | 0.78 | — | — | |
| SCHEMBL5585359 | 0.77 | — | — | |
| SCHEMBL27635335 | 0.76 | GAA (0.34) | — | |
| SCHEMBL27715726 | 0.76 | GAA (0.34) | — | |
| SCHEMBL27656285 | 0.76 | GAA (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4400497-A1 | 3CLPRO PROTEASE INHIBITOR | Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) | 2024-07-17 | — | — | EP | disclosed |
| EP-2951184-A1 | SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF | Aptinyx Inc. (US) | 2015-12-09 | — | — | EP | disclosed |
| WO-2014120786-A1 | SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF | NAUREX, INC. (US) | 2014-08-07 | — | — | WO | disclosed |