⚠ 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 | |
|---|---|---|---|---|
| Propylene Oxide SCHEMBL27414072 | 0.84 | — | — | |
| Propylene Oxide SCHEMBL11051700 | 0.83 | TDP1 (0.42) | — | |
| Propylene Oxide SCHEMBL1907901 | 0.83 | — | — | |
| Propylene Oxide SCHEMBL28305304 | 0.80 | — | — | |
| Propylene Oxide SCHEMBL10795929 | 0.80 | — | — | |
| Propylene Oxide SCHEMBL718358 | 0.80 | — | — | |
| Propylene Oxide SCHEMBL17849013 | 0.80 | — | — | |
| Butadiene SCHEMBL11224522 | 0.79 | TDP1 (0.35) | — | |
| Allyl Alcohol SCHEMBL1865006 | 0.79 | — | — | |
| Propylene Oxide SCHEMBL28821858 | 0.78 | CHRM2 (0.36) | — |
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-112795019-B | Phenyl sulfonic acid silicone oil ester flame retardant and preparation method thereof | 常州大学 | 2022-05-31 | — | — | CN | disclosed |
| CN-112795019-A | Phenyl sulfonic acid silicone oil ester flame retardant and preparation method thereof | 常州大学 | 2021-05-14 | — | — | CN | disclosed |