⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL210649 | 0.87 | — | — | |
| Sulfurous Acid SCHEMBL5276966 | 0.77 | CA1 (0.33) | — | |
| SCHEMBL6049955 | 0.75 | CASP1 (0.33) | — | |
| SCHEMBL5933484 | 0.73 | — | — | |
| SCHEMBL1316316 | 0.67 | — | — | |
| SCHEMBL210371 | 0.67 | — | — | |
| Boric Acid SCHEMBL10873344 | 0.58 | LMNA (0.43) | — | |
| Boric Acid SCHEMBL132220 | 0.58 | LMNA (0.43) | — | |
| Boric Acid SCHEMBL58335 | 0.58 | LMNA (0.43) | — | |
| Boric Acid SCHEMBL3626442 | 0.51 | LMNA (0.67) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-9031293-A | — | — | None | — | — | JP | disclosed |
| WO-1997004028-A1 | FLAME-RETARDANT RESIN COMPOSITION | NIPPON STEEL CHEMICAL CO., LTD. (JP) | 1997-02-06 | — | — | WO | disclosed |
| JP-H0931293-A | FLAME-RETARDANT STYRENE-BASED RESIN COMPOSITION | NIPPON STEEL CHEM CO LTD | 1997-02-04 | — | — | JP | disclosed |