⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27437745 | 0.95 | TDP1 (0.60) | — | |
| SCHEMBL29972 | 0.95 | — | — | |
| Ethane SCHEMBL3288242 | 0.91 | — | — | |
| Methane SCHEMBL5786697 | 0.91 | — | — | |
| Fluoride SCHEMBL27416012 | 0.91 | — | — | |
| Methyl Alcohol SCHEMBL11644599 | 0.91 | — | — | |
| Isobutane SCHEMBL27520106 | 0.84 | HSD17B10 (0.50) | — | |
| SCHEMBL27511034 | 0.84 | HSD17B10 (0.50) | — | |
| Propene SCHEMBL6919336 | 0.81 | HSD17B10 (0.47) | — | |
| Ethylene Glycol SCHEMBL5364211 | 0.81 | HSD17B10 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1054396-C | Granular detergent compositions | PROCTER & GAMBLE (US) | 2000-07-12 | — | — | CN | disclosed |
| CN-1077491-A | Granular detergent composition | PROCTER & GAMBLE (US) | 1993-10-20 | — | — | CN | disclosed |