⚠ 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL8151277 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL61431 | 0.82 | — | — | |
| Fluoride SCHEMBL1896494 | 0.82 | — | — | |
| SCHEMBL1116198 | 0.72 | — | — | |
| Bromide SCHEMBL29198660 | 0.72 | — | — | |
| Pyrrole SCHEMBL23500103 | 0.69 | — | — | |
| Methyl Phosphonate SCHEMBL31177908 | 0.67 | CA2 (0.44) | — | |
| SCHEMBL4345316 | 0.65 | — | — | |
| SCHEMBL10996558 | 0.65 | — | — | |
| SCHEMBL31177920 | 0.64 | — | — |
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-109790292-A | Process for preparing polybenzazole polymer (P) | 巴斯夫欧洲公司 | 2019-05-21 | — | — | CN | disclosed |