⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20195562 | 0.74 | GLP1R (0.36) | — | |
| SCHEMBL20195615 | 0.74 | GUCY1B2 (0.31) | — | |
| SCHEMBL20195413 | 0.73 | HTR7 (0.39) | — | |
| SCHEMBL18831773 | 0.73 | MRGPRX4 (0.34) | — | |
| SCHEMBL18831778 | 0.72 | SLC22A12 (0.33) | — | |
| SCHEMBL20686655 | 0.71 | MRGPRX4 (0.37) | — | |
| SCHEMBL20686665 | 0.71 | PTGDR2 (0.40) | — | |
| SCHEMBL18831574 | 0.71 | PDCD1 (0.32) | — | |
| SCHEMBL20686674 | 0.68 | GAA (0.32) | — | |
| SCHEMBL20686679 | 0.66 | PTGER1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3029035-B1 | TETRAZOLINONE COMPOUND, AND USE THEREOF | SUMITOMO CHEMICAL CO (JP) | 2018-05-30 | — | — | EP | disclosed |