⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5232817 | 0.79 | P2RX7 (0.35) | — | |
| SCHEMBL2644762 | 0.77 | MAPT (0.42) | — | |
| SCHEMBL27458707 | 0.67 | TAAR1 (0.38) | — | |
| SCHEMBL27933616 | 0.64 | LMNA (0.44) | — | |
| SCHEMBL16046136 | 0.64 | MAPT (0.41) | — | |
| SCHEMBL2644701 | 0.62 | KDM1A (0.34) | — | |
| SCHEMBL2646657 | 0.61 | TAAR1 (0.38) | — | |
| SCHEMBL6486287 | 0.59 | HTR2B (0.39) | — | |
| SCHEMBL7463139 | 0.58 | PDE4B (0.38) | — | |
| SCHEMBL11662547 | 0.57 | MAPT (0.50) | — |
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-1121361-A1 | PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | Merck Sharp & Dohme Limited (GB) | 2001-08-08 | — | — | EP | disclosed |
| WO-2000023449-A1 | PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2000-04-27 | — | — | WO | disclosed |