⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30774 | 1.00 | — | — | |
| SCHEMBL6013858 | 1.00 | — | — | |
| Water SCHEMBL4908320 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL17242651 | 0.96 | — | — | |
| Formic Acid SCHEMBL3667112 | 0.89 | — | — | |
| Carbonotrithioic Acid SCHEMBL28273373 | 0.84 | CA1 (0.35) | — | |
| Sulfurous Acid SCHEMBL11034327 | 0.84 | GABRR1 (0.38) | — | |
| Perchlorate SCHEMBL11635227 | 0.84 | GABRR1 (0.32) | — | |
| Acetic Acid SCHEMBL9812224 | 0.82 | GABRR1 (0.48) | — | |
| SCHEMBL4488248 | 0.80 | GABRR1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5278212-A | Hydroxy phenyl organo phosphorus compound | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1994-01-11 | — | — | US | disclosed |