⚠ 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 | — | — | |
| SCHEMBL28087365 | 0.94 | — | — | |
| SCHEMBL28087398 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL8120156 | 0.94 | — | — | |
| Propane SCHEMBL11757435 | 0.94 | CYP3A4 (0.40) | — | |
| SCHEMBL19810515 | 0.94 | — | — | |
| SCHEMBL28367012 | 0.94 | — | — | |
| SCHEMBL8120158 | 0.94 | — | — | |
| Benzene SCHEMBL11671040 | 0.90 | LTA4H (0.43) | — |
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-103897215-B | A kind of composite flame-retardant agent and application thereof | 金发科技股份有限公司 | 2016-08-24 | — | — | CN | claimed |
| CN-103897215-B | A kind of composite flame-retardant agent and application thereof | 金发科技股份有限公司 | 2016-08-24 | — | — | CN | disclosed |