⚠ 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 | |
|---|---|---|---|---|
| Benzidine SCHEMBL20572549 | 0.84 | CYP3A4 (0.65) | — | |
| Biphenyl SCHEMBL6029133 | 0.82 | ALDH1A1 (0.60) | — | |
| Biphenyl SCHEMBL27389033 | 0.82 | ALDH1A1 (0.60) | — | |
| Biphenyl SCHEMBL258693 | 0.82 | ALDH1A1 (0.60) | — | |
| Biphenyl SCHEMBL258699 | 0.79 | ALDH1A1 (0.56) | — | |
| Biphenyl SCHEMBL258507 | 0.79 | ALDH1A1 (0.56) | — | |
| Biphenyl SCHEMBL258610 | 0.79 | ALDH1A1 (0.56) | — | |
| Biphenyl SCHEMBL258561 | 0.79 | ALDH1A1 (0.56) | — | |
| SCHEMBL30135412 | 0.71 | ALDH1A1 (0.55) | — | |
| SCHEMBL30589936 | 0.71 | ALDH1A1 (0.55) | — |
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-113929967-B | Phosphorus-nitrogen double salt, preparation method thereof, flame retardant and application thereof | 浙江新化化工股份有限公司 | 2023-06-06 | — | — | CN | disclosed |