⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14481999 | 0.75 | — | — | |
| SCHEMBL9680205 | 0.71 | — | — | |
| SCHEMBL8763359 | 0.67 | ALDH1A1 (0.38) | — | |
| SCHEMBL330601 | 0.67 | — | — | |
| SCHEMBL8762363 | 0.67 | — | — | |
| SCHEMBL20859528 | 0.67 | — | — | |
| SCHEMBL11583974 | 0.67 | TRPA1 (0.31) | — | |
| SCHEMBL6372816 | 0.64 | CYP1A2 (0.30) | — | |
| SCHEMBL1252396 | 0.63 | ALDH1A1 (0.31) | — | |
| SCHEMBL1252394 | 0.63 | ALDH1A1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20250066293-A1 | OIL-BASED ISOTHIOCYANATE PRODUCTS AND PROCESSES FOR PREPARING OIL-BASED ISOTHIOCYANATE PRODUCTS | BRASSICA PROTECTION PRODUCTS LLC (US) | 2025-02-27 | — | — | US | disclosed |
| WO-2023133494-A2 | OIL-BASED ISOTHIOCYANATE PRODUCTS AND PROCESSES FOR PREPARING OIL-BASED ISOTHIOCYANATE PRODUCTS | BRASSICA PROTECTION PRODUCTS LLC (US) | 2023-07-13 | — | — | WO | disclosed |