⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9775319 | 0.78 | TRPM8 (0.31) | — | |
| SCHEMBL435630 | 0.74 | LAP3 (0.40) | — | |
| SCHEMBL11299069 | 0.71 | — | — | |
| SCHEMBL2686094 | 0.70 | LAP3 (0.32) | — | |
| SCHEMBL5873230 | 0.69 | LAP3 (0.31) | — | |
| SCHEMBL1292884 | 0.62 | — | — | |
| SCHEMBL5050689 | 0.61 | — | — | |
| SCHEMBL10618532 | 0.61 | — | — | |
| SCHEMBL2326047 | 0.61 | — | — | |
| SCHEMBL20033678 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015053980-A1 | PREPARATION OF ORGANOPHOSPHATE PEPTIDE ADDUCTS | BATTELLE MEMORIAL INSTITUTE (US) | 2015-04-16 | — | — | WO | disclosed |
| US-20150099864-A1 | PREPARATION OF ORGANOPHOSPHATE PEPTIDE ADDUCTS | BATTELLE MEMORIAL INSTITUTE | 2015-04-09 | — | — | US | disclosed |