⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3229471 | 0.98 | — | — | |
| Oxamate SCHEMBL30553698 | 0.88 | LDHA (0.33) | — | |
| SCHEMBL28456048 | 0.83 | — | — | |
| SCHEMBL16095021 | 0.78 | — | — | |
| Potassium Ion SCHEMBL31448342 | 0.77 | — | — | |
| SCHEMBL31002999 | 0.77 | — | — | |
| Hypoxanthine SCHEMBL29193379 | 0.77 | ALDH1A1 (0.50) | — | |
| SCHEMBL3259932 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL31533309 | 0.74 | — | — | |
| SCHEMBL27402356 | 0.73 | FAAH (0.41) | — |
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-118146483-A | Flame-retardant low-smoke-toxicity polyurethane foam material and preparation method thereof | 西华大学 | 2024-06-07 | — | — | CN | disclosed |