⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6015161 | 0.75 | — | — | |
| SCHEMBL21425643 | 0.69 | — | — | |
| SCHEMBL6703070 | 0.69 | TRPA1 (0.42) | — | |
| SCHEMBL6057561 | 0.67 | TRPA1 (0.40) | — | |
| SCHEMBL11590453 | 0.63 | ALDH1A1 (0.36) | — | |
| SCHEMBL9042 | 0.62 | — | — | |
| Trimethylammonium SCHEMBL459398 | 0.62 | — | — | |
| SCHEMBL3810571 | 0.62 | — | — | |
| Diallyl Sulfide SCHEMBL14764035 | 0.60 | ALOX5 (1.00) | — | |
| Diallyldisulfide SCHEMBL93944 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230287562-A1 | COMPOSITIONS ND METHODS USING SAME FOR GERMANIUM SEED LAYER | VERSUM MATERIALS US, LLC | 2023-09-14 | — | — | US | disclosed |