⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3619540 | 0.97 | — | — | |
| Ethane SCHEMBL3978956 | 0.95 | ALDH1A1 (0.35) | — | |
| SCHEMBL27786928 | 0.95 | — | — | |
| Isobutane SCHEMBL3977701 | 0.95 | ALDH1A1 (0.35) | — | |
| Isobutyraldehyde SCHEMBL27944563 | 0.86 | TSHR (0.33) | — | |
| Acrylamide SCHEMBL27429361 | 0.80 | TSHR (0.46) | — | |
| SCHEMBL11811334 | 0.79 | — | — | |
| SCHEMBL11585533 | 0.78 | — | — | |
| SCHEMBL28898759 | 0.77 | — | — | |
| SCHEMBL5900778 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1863873-A | Flame-retardant polyamide molding materials and their use | EMS CHEMIE AG (CH) | 2006-11-15 | — | — | CN | disclosed |