⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8557880 | 0.79 | BCHE (0.31) | — | |
| SCHEMBL8120880 | 0.79 | CES1 (0.34) | — | |
| SCHEMBL8121277 | 0.74 | TYMS (0.36) | — | |
| SCHEMBL7352782 | 0.71 | — | — | |
| SCHEMBL8113286 | 0.71 | GRIN2D (0.31) | — | |
| SCHEMBL8120797 | 0.69 | CES1 (0.38) | — | |
| SCHEMBL8129278 | 0.69 | CAPN9 (0.33) | — | |
| SCHEMBL8113118 | 0.68 | MEN1 (0.31) | — | |
| SCHEMBL8558013 | 0.68 | BCHE (0.30) | — | |
| SCHEMBL8124019 | 0.68 | GRIN2D (0.30) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0647137-A4 | GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF. | UNIV CALIFORNIA WEBER ECKARD (US) | 1998-09-16 | — | — | EP | disclosed |
| EP-0647137-A1 | GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1995-04-12 | — | — | EP | disclosed |