⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5142093 | 0.77 | — | — | |
| Bromide SCHEMBL11430512 | 0.65 | ALDH1A1 (0.34) | — | |
| SCHEMBL13762473 | 0.64 | CHRM2 (0.41) | — | |
| SCHEMBL567570 | 0.63 | — | — | |
| SCHEMBL5455473 | 0.61 | — | — | |
| SCHEMBL4128663 | 0.59 | — | — | |
| SCHEMBL5176797 | 0.58 | ALDH1A1 (0.38) | — | |
| SCHEMBL10066918 | 0.58 | — | — | |
| SCHEMBL30565830 | 0.58 | — | — | |
| SCHEMBL7043982 | 0.58 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-7206902-A | — | — | None | — | — | JP | disclosed |
| US-6476256-B1 | Process and apparatus for preparation of phosphorus oxyacids from elemental phosphorus | MONSANTO COMPANY | 2002-11-05 | — | — | US | disclosed |
| US-6238637-B1 | PREPARATION OF H2 AND PHOSPHOROUS ACID, THE PROCESS COMPRISING CATALYTICALLY OXIDIZING ELEMENTAL PHOSPHORUS BY REACTION WITH WATER AT A TEMPERATURE BELOW 200 DEGREES C. | MONSANTO COMPANY | 2001-05-29 | — | — | US | disclosed |
| JP-H07206902-A | LOW VISCOSITY HETEROPOLYSACCHARIDE | MERCK & CO INC | 1995-08-08 | — | — | JP | disclosed |