⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL98025 | 0.97 | — | — | |
| SCHEMBL3802248 | 0.97 | — | — | |
| SCHEMBL28087398 | 0.94 | — | — | |
| SCHEMBL28087365 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL8120156 | 0.94 | — | — | |
| Propane SCHEMBL11757435 | 0.94 | CYP3A4 (0.40) | — | |
| SCHEMBL19810515 | 0.94 | — | — | |
| SCHEMBL8120158 | 0.94 | — | — | |
| SCHEMBL28087279 | 0.94 | — | — | |
| SCHEMBL28373309 | 0.90 | LPAR3 (0.46) | — |
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-107641218-B | Flame retardant mixtures, their preparation and their use | 科莱恩塑料和涂料有限公司 | 2020-03-24 | — | — | CN | claimed |