⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL818142 | 0.84 | — | — | |
| SCHEMBL9550862 | 0.78 | FDPS (0.33) | — | |
| SCHEMBL1921622 | 0.75 | TSHR (0.33) | — | |
| SCHEMBL1922094 | 0.73 | — | — | |
| SCHEMBL1160246 | 0.73 | FDPS (0.32) | — | |
| SCHEMBL11723846 | 0.71 | — | — | |
| SCHEMBL5077170 | 0.71 | TSHR (0.44) | — | |
| SCHEMBL11479473 | 0.71 | — | — | |
| SCHEMBL8903884 | 0.69 | FDPS (0.34) | — | |
| SCHEMBL10390922 | 0.69 | GGPS1 (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107383093-A | Hydroxymethyl phosphonic acid ester, composition, polyurethane foam and product | ICL-IP美国有限公司 | 2017-11-24 | — | — | CN | disclosed |
| CN-104755487-B | Method for preparing hydroxymethylphosphonate, polyurethane foam-forming composition prepared thereby, polyurethane foam and article | ICL-IP美国有限公司 | 2017-09-19 | — | — | CN | disclosed |
| CN-104755487-A | Method for preparing hydroxymethylphosphonate, polyurethane foam-forming composition prepared thereby, polyurethane foam and article | ICL IP AMERICA INC | 2015-07-01 | — | — | CN | disclosed |