⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11661678 | 0.82 | — | — | |
| SCHEMBL2887885 | 0.76 | SMPD1 (0.33) | — | |
| SCHEMBL3621388 | 0.73 | — | — | |
| SCHEMBL11656278 | 0.71 | DGAT1 (0.35) | — | |
| SCHEMBL11346844 | 0.66 | — | — | |
| SCHEMBL11693750 | 0.65 | — | — | |
| SCHEMBL6684304 | 0.65 | SMPD1 (0.33) | — | |
| Phosphoric Acid SCHEMBL1082091 | 0.63 | — | — | |
| Phosphoric Acid SCHEMBL11158359 | 0.61 | LMNA (0.38) | — | |
| SCHEMBL16384217 | 0.61 | LAP3 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4098759-A | Bromine-containing cyclic phosphonic acid esters | HOECHST AKTIENGESELLSCHAFT (DE) | 1978-07-04 | — | — | US | disclosed |
| US-3966849-A | Bromine-containing cyclic phosphonic acid esters | HOECHST AKTIENGESELLSCHAFT (DT) | 1976-06-29 | — | — | US | disclosed |