⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3486881 | 0.75 | — | — | |
| SCHEMBL397414 | 0.74 | — | — | |
| Phosphoric Acid SCHEMBL28943185 | 0.73 | CA2 (0.46) | — | |
| Phosphoric Acid SCHEMBL14890175 | 0.73 | CA2 (0.46) | — | |
| Hydrochloric Acid SCHEMBL28132101 | 0.73 | — | — | |
| SCHEMBL193433 | 0.73 | — | — | |
| SCHEMBL11424926 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL10775256 | 0.71 | — | — | |
| SCHEMBL9392111 | 0.71 | — | — | |
| Phosphoric Acid SCHEMBL28541600 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1994025471-A1 | PHOSPHORAMIDATES USEFUL AS ANTITUMOR AGENTS | RESEARCH CORPORATION TECHNOLOGIES, INC. (US) | 1994-11-10 | — | — | WO | disclosed |
| EP-0008939-A2 | Intumescent composition | GREAT LAKES CHEMICAL CORPORATION (US) | 1980-03-19 | — | — | EP | disclosed |